(2R)-1-[4-(4-nitroanilino)butanoyl]pyrrolidine-2-carboxamide

C15H20N4O4 — CID 95339539

IUPAC(2R)-1-[4-(4-nitroanilino)butanoyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H20N4O4/c16-15(21)13-3-2-10-18(13)14(20)4-1-9-17-11-5-7-12(8-6-11)19(22)23/h5-8,13,17H,1-4,9-10H2,(H2,16,21)/t13-/m1/s1
InChIKeyZLXRQHQRQYOIPO-CYBMUJFWSA-N
MW320.35 g/mol
LogP1.26
Rot. Bonds7

About (2R)-1-[4-(4-nitroanilino)butanoyl]pyrrolidine-2-carboxamide

(2R)-1-[4-(4-nitroanilino)butanoyl]pyrrolidine-2-carboxamide (PubChem CID 95339539) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is (2R)-1-[4-(4-nitroanilino)butanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[4-(4-nitroanilino)butanoyl]pyrrolidine-2-carboxamide
PubChem CID95339539
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name(2R)-1-[4-(4-nitroanilino)butanoyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H20N4O4/c16-15(21)13-3-2-10-18(13)14(20)4-1-9-17-11-5-7-12(8-6-11)19(22)23/h5-8,13,17H,1-4,9-10H2,(H2,16,21)/t13-/m1/s1
InChIKeyZLXRQHQRQYOIPO-CYBMUJFWSA-N
XLogP1.26
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-1-[4-(4-nitroanilino)butanoyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-(4-nitroanilino)butan-1-one
CID 60605793
1-[(3R)-3-aminopyrrolidin-1-yl]-4-(4-nitroanilino)butan-1-one;hydrochloride
CID 119412131
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-4-(4-nitroanilino)butan-1-one
CID 60605801
1-(2-methylpiperazin-1-yl)-4-(4-nitroanilino)butan-1-one
CID 119472449
1-(1,4-diazepan-1-yl)-4-(4-nitroanilino)butan-1-one
CID 119417254
2-[4-[4-(4-nitroanilino)butanoyl]thiomorpholin-3-yl]acetic acid
CID 119210504
1-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-4-(4-nitroanilino)butan-1-one
CID 51653150
1-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119356395
(2S)-1-[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 15735525
N-[2-(aminomethyl)cyclohexyl]-4-(4-nitroanilino)butanamide;hydrochloride
CID 119611458
1-(4-ethyl-1,4-diazepan-1-yl)-4-(4-nitroanilino)butan-1-one
CID 56786192
(2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide
CID 143897244

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4-nitroanilino)butanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[4-(4-nitroanilino)butanoyl]pyrrolidine-2-carboxamide (CID 95339539) is (2R)-1-[4-(4-nitroanilino)butanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[4-(4-nitroanilino)butanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[4-(4-nitroanilino)butanoyl]pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-1-[4-(4-nitroanilino)butanoyl]pyrrolidine-2-carboxamide?
The InChIKey is ZLXRQHQRQYOIPO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O4/c16-15(21)13-3-2-10-18(13)14(20)4-1-9-17-11-5-7-12(8-6-11)19(22)23/h5-8,13,17H,1-4,9-10H2,(H2,16,21)/t13-/m1/s1.
What are the key properties of (2R)-1-[4-(4-nitroanilino)butanoyl]pyrrolidine-2-carboxamide?
(2R)-1-[4-(4-nitroanilino)butanoyl]pyrrolidine-2-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(4-nitroanilino)butanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95339539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).