3-[(4-benzamidopyrrolidine-2-carbonyl)amino]propanoic acid

C15H19N3O4 — CID 67392953

IUPAC3-[(4-benzamidopyrrolidine-2-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1CC(NC(=O)c2ccccc2)CN1
InChIInChI=1S/C15H19N3O4/c19-13(20)6-7-16-15(22)12-8-11(9-17-12)18-14(21)10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2,(H,16,22)(H,18,21)(H,19,20)
InChIKeyLPRUJVQUSXNWFD-UHFFFAOYSA-N
MW305.33 g/mol
LogP-0.26
Rot. Bonds6

About 3-[(4-benzamidopyrrolidine-2-carbonyl)amino]propanoic acid

3-[(4-benzamidopyrrolidine-2-carbonyl)amino]propanoic acid (PubChem CID 67392953) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-[(4-benzamidopyrrolidine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-benzamidopyrrolidine-2-carbonyl)amino]propanoic acid
PubChem CID67392953
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name3-[(4-benzamidopyrrolidine-2-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1CC(NC(=O)c2ccccc2)CN1
InChIInChI=1S/C15H19N3O4/c19-13(20)6-7-16-15(22)12-8-11(9-17-12)18-14(21)10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2,(H,16,22)(H,18,21)(H,19,20)
InChIKeyLPRUJVQUSXNWFD-UHFFFAOYSA-N
XLogP-0.26
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[(4-methylbenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid
CID 67392326
2-[[4-[(4-methoxybenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid
CID 67392265
5-benzamidopiperidine-2-carboxylic acid
CID 66965508
bis(3-benzamidopropanoic acid);piperazine
CID 3045072
[(3R)-5-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]pyrrolidin-3-yl]carbamic acid
CID 146217823
[(2R)-1-[(4S)-4-benzamidopyrrolidine-2-carbonyl]pyrrolidin-2-yl]boronic acid
CID 143049705
N-[5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide
CID 67506426
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 61157648
N-[(1R,3S)-3-fluorocyclohexyl]benzamide
CID 162413699
N-(3-aminocyclobutyl)benzamide
CID 43594893
4-hydroxy-N-[4-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119749178
N-[(1S,3S)-3-fluorocyclopentyl]benzamide
CID 129348898

Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzamidopyrrolidine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(4-benzamidopyrrolidine-2-carbonyl)amino]propanoic acid (CID 67392953) is 3-[(4-benzamidopyrrolidine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(4-benzamidopyrrolidine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(4-benzamidopyrrolidine-2-carbonyl)amino]propanoic acid is O=C(O)CCNC(=O)C1CC(NC(=O)c2ccccc2)CN1.
What is the InChIKey of 3-[(4-benzamidopyrrolidine-2-carbonyl)amino]propanoic acid?
The InChIKey is LPRUJVQUSXNWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c19-13(20)6-7-16-15(22)12-8-11(9-17-12)18-14(21)10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2,(H,16,22)(H,18,21)(H,19,20).
What are the key properties of 3-[(4-benzamidopyrrolidine-2-carbonyl)amino]propanoic acid?
3-[(4-benzamidopyrrolidine-2-carbonyl)amino]propanoic acid has a molecular weight of 305.33 g/mol, XLogP of -0.26, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzamidopyrrolidine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 67392953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).