NoName_3047

HCID 69236

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Basic information

Standard SMILES: CCOC(=O)C(C)N
InChIKey: ROBXZHNBBCHEIQ-UHFFFAOYSA-N
Molecular formula: C5H11NO2
Average molar mass: 117.15 g/mol
Monoisotopic mass: 117.07897859

Names & identifiers

Preferred name: NoName_3047
IUPAC: ethyl 2-aminopropanoate

Names & synonyms

NoName_3047RefChem:1092511DTXCID80839294DTXSID40902534Ethyl 2-aminopropanoate17344-99-9dl-Alanine ethyl esterh-dl-ala-oet hclEthyl 2-aminopropanoate #Ethyl Dl-Alaninateethyl aminopropionateEthyl2-aminopropanoate

Show more names

H-DL-Ala-OEtSCHEMBL196408SCHEMBL523571SCHEMBL5699258SCHEMBL8924849SCHEMBL27693612ROBXZHNBBCHEIQ-UHFFFAOYSA-AKOS015932660

Database identifiers

PubChem CID: 69236
Nikkaji: J25.553J

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 82

Related reactions

35 records

New reaction record

HRID 87365As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 118503As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 123812As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 138459As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 144316As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 157408As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 165322As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 183815As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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