3-amino-1-(2-benzamido-2-oxoethyl)pyrrolidine-3-carboxylic acid

C14H17N3O4 — CID 107324258

IUPAC3-amino-1-(2-benzamido-2-oxoethyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(CC(=O)NC(=O)c2ccccc2)C1
InChIInChI=1S/C14H17N3O4/c15-14(13(20)21)6-7-17(9-14)8-11(18)16-12(19)10-4-2-1-3-5-10/h1-5H,6-9,15H2,(H,20,21)(H,16,18,19)
InChIKeyXRWXJJGYCBKQTA-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.57
Rot. Bonds4

About 3-amino-1-(2-benzamido-2-oxoethyl)pyrrolidine-3-carboxylic acid

3-amino-1-(2-benzamido-2-oxoethyl)pyrrolidine-3-carboxylic acid (PubChem CID 107324258) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-amino-1-(2-benzamido-2-oxoethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(2-benzamido-2-oxoethyl)pyrrolidine-3-carboxylic acid
PubChem CID107324258
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name3-amino-1-(2-benzamido-2-oxoethyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(CC(=O)NC(=O)c2ccccc2)C1
InChIInChI=1S/C14H17N3O4/c15-14(13(20)21)6-7-17(9-14)8-11(18)16-12(19)10-4-2-1-3-5-10/h1-5H,6-9,15H2,(H,20,21)(H,16,18,19)
InChIKeyXRWXJJGYCBKQTA-UHFFFAOYSA-N
XLogP-0.57
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-aminoazetidin-1-yl)acetyl]benzamide
CID 65249716
3-amino-1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324880
3-amino-1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107325039
3-amino-1-[2-(2,4-dimethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324469
3-amino-1-(4-phenylbutyl)pyrrolidine-3-carboxylic acid
CID 107325026
N-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide
CID 104975759
3-amino-1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324973
3-amino-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 107324218
N-[2-[4-(1-aminoethyl)piperidin-1-yl]acetyl]benzamide
CID 63596753
4-chloro-N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]benzamide
CID 103358091
3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321090
3-amino-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324715

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-benzamido-2-oxoethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(2-benzamido-2-oxoethyl)pyrrolidine-3-carboxylic acid (CID 107324258) is 3-amino-1-(2-benzamido-2-oxoethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(2-benzamido-2-oxoethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(2-benzamido-2-oxoethyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(CC(=O)NC(=O)c2ccccc2)C1.
What is the InChIKey of 3-amino-1-(2-benzamido-2-oxoethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is XRWXJJGYCBKQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c15-14(13(20)21)6-7-17(9-14)8-11(18)16-12(19)10-4-2-1-3-5-10/h1-5H,6-9,15H2,(H,20,21)(H,16,18,19).
What are the key properties of 3-amino-1-(2-benzamido-2-oxoethyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(2-benzamido-2-oxoethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-benzamido-2-oxoethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).