1-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid

C15H17N3O6 — CID 119356395

IUPAC1-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(NCCC(=O)N1CCCC1C(=O)O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H17N3O6/c19-13(17-9-1-2-12(17)15(21)22)7-8-16-14(20)10-3-5-11(6-4-10)18(23)24/h3-6,12H,1-2,7-9H2,(H,16,20)(H,21,22)
InChIKeyJYHZYZBCNSAHSU-UHFFFAOYSA-N
MW335.32 g/mol
LogP0.79
Rot. Bonds6

About 1-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid

1-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119356395) has the molecular formula C15H17N3O6 and a molecular weight of 335.32 g/mol. Its IUPAC name is 1-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID119356395
Molecular FormulaC15H17N3O6
Molecular Weight335.32 g/mol
Exact Mass335.11
IUPAC Name1-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(NCCC(=O)N1CCCC1C(=O)O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H17N3O6/c19-13(17-9-1-2-12(17)15(21)22)7-8-16-14(20)10-3-5-11(6-4-10)18(23)24/h3-6,12H,1-2,7-9H2,(H,16,20)(H,21,22)
InChIKeyJYHZYZBCNSAHSU-UHFFFAOYSA-N
XLogP0.79
TPSA129.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355669
1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355708
4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 7964038
(2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid
CID 79035340
(2R)-1-[(4-nitrophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923280
1-[3-[(4-fluorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxamide
CID 75592631
(2S)-1-(4-nitrophenoxy)carbonylpyrrolidine-2-carboxylic acid
CID 67520815
(2R)-N-[3-[(4-fluorobenzoyl)amino]propyl]-1-(4-nitrobenzoyl)pyrrolidine-2-carboxamide
CID 46104267
1-[3-(3-nitrophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356438
1-[3-(2-nitroanilino)propanoyl]piperidine-2-carboxylic acid
CID 119175826
2-[3-[(4-nitrobenzoyl)amino]propanoylamino]acetic acid
CID 119171145
1-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119356458

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid (CID 119356395) is 1-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid is O=C(NCCC(=O)N1CCCC1C(=O)O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JYHZYZBCNSAHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O6/c19-13(17-9-1-2-12(17)15(21)22)7-8-16-14(20)10-3-5-11(6-4-10)18(23)24/h3-6,12H,1-2,7-9H2,(H,16,20)(H,21,22).
What are the key properties of 1-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
1-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 335.32 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119356395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).