N-Glycyl-DL-proline

HCID 79101CAS 114681-11-7
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Basic information

Standard SMILES
NCC(=O)N1CCCC1C(=O)O
InChIKey
KZNQNBZMBZJQJO-UHFFFAOYSA-N
Molecular formula
C7H12N2O3
Average molar mass
172.18 g/mol
Monoisotopic mass
172.08479225

Names & identifiers

Preferred name
N-Glycyl-DL-proline
IUPAC
1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid

Names & synonyms

1-GlycylprolineN-Glycyl-DL-prolineProline, glycyl-DL-Proline, 1-glycyl-UNII-1TA6DL3YKT1TA6DL3YKT118203-80-8RefChem:2021531-(2-aminoacetyl)pyrrolidine-2-carboxylic acidGLY-PRO-OHbmse000588G3002_SIGMA
Show more names
SCHEMBL155066L-Proline, 1-glycyl- (9CI)KZNQNBZMBZJQJO-UHFFFAOYSA-NNSC97929OGP-3052Proline, 1-glycyl-, L- (8CI)s6133AKOS009158073

Database identifiers

CAS
114681-11-7、118203-80-8、704-15-4
PubChem CID
79101
DTXSID
DTXSID40862381
UNII
1TA6DL3YKT
Nikkaji
J2.746.736I

Properties

Computed structural properties

XLogP
-3.1
Topological polar surface area
83.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
12

Experimental & physicochemical properties

Collision Cross Section134.59 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]；136.4 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

Related reactions

1 records
New reaction record

Linked notes

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