Malonic acid, acetamido(7-amino-3-indolylmethyl)-, diethyl ester
Basic information
- CAS
73747-60-1- Standard SMILES
CCOC(=O)C(NC(=O)CCc1c[nH]c2c(N)cccc12)C(=O)OCC- InChIKey
HOHOQUCSQCEFBU-UHFFFAOYSA-N- Molecular formula
- C18H23N3O5
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.16377084
Names & identifiers
- Preferred name
- Malonic acid, acetamido(7-amino-3-indolylmethyl)-, diethyl ester
- IUPAC
- diethyl 2-[3-(7-amino-1H-indol-3-yl)propanoylamino]propanedioate
Names & synonyms
NSC 77008BRN 0452758Diethyl acetamido(7-amino-indol-3-ylmethyl)malonate2-Acetamido-2-(7-amino-3-indolylmethyl)malonic acid diethyl esterMALONIC ACID, ACETAMIDO(7-AMINO-3-INDOLYLMETHYL)-, DIETHYL ESTERPropanedioic acid, (acetylamino)((7-amino-1H-indol-3-yl)methyl)-, diethyl ester5-22-14-00227 (Beilstein Handbook Reference)RefChem:351839Propanedioic acid, (acetylamino)((7-amino-1H-indol-3-yl)methyl)-, diethyl ester (9CI)73747-60-1
Database identifiers
- CAS
73747-60-1- PubChem CID
- 52377
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 495
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Compound notes
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