(3R)-1-cyclopropyl-N-[2-(2-nitroanilino)ethyl]-5-oxopyrrolidine-3-carboxamide

C16H20N4O4 — CID 94074863

IUPAC(3R)-1-cyclopropyl-N-[2-(2-nitroanilino)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C16H20N4O4/c21-15-9-11(10-19(15)12-5-6-12)16(22)18-8-7-17-13-3-1-2-4-14(13)20(23)24/h1-4,11-12,17H,5-10H2,(H,18,22)/t11-/m1/s1
InChIKeyAMGDRWLTQNEXCB-LLVKDONJSA-N
MW332.36 g/mol
LogP1.13
Rot. Bonds7

About (3R)-1-cyclopropyl-N-[2-(2-nitroanilino)ethyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-cyclopropyl-N-[2-(2-nitroanilino)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 94074863) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is (3R)-1-cyclopropyl-N-[2-(2-nitroanilino)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopropyl-N-[2-(2-nitroanilino)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID94074863
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name(3R)-1-cyclopropyl-N-[2-(2-nitroanilino)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C16H20N4O4/c21-15-9-11(10-19(15)12-5-6-12)16(22)18-8-7-17-13-3-1-2-4-14(13)20(23)24/h1-4,11-12,17H,5-10H2,(H,18,22)/t11-/m1/s1
InChIKeyAMGDRWLTQNEXCB-LLVKDONJSA-N
XLogP1.13
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.13
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'}

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Related Compounds

N-[2-(2-nitroanilino)ethyl]pyrrolidine-3-carboxamide
CID 119692403
1-(2,2-dimethylpropanoyl)-N-[2-(2-nitroanilino)ethyl]piperidine-4-carboxamide
CID 9278907
(3R)-N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 94144468
N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 46539812
(2S)-N-[2-(2-nitroanilino)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 41357240
(3R)-1-cyclopentyl-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 94125463
N-[2-(2-nitroanilino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 42925036
(3R)-N-[2-[(4-chlorobenzoyl)amino]ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 36868577
1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 70724457
tert-butyl (3R,4S)-3-methyl-4-[2-(2-nitroanilino)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 97247486
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(2-nitroanilino)ethyl]acetamide
CID 9278370
(3S)-1-cyclopropyl-5-oxo-N-[3-(2-phenylethoxy)propyl]pyrrolidine-3-carboxamide
CID 94627844

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopropyl-N-[2-(2-nitroanilino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopropyl-N-[2-(2-nitroanilino)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 94074863) is (3R)-1-cyclopropyl-N-[2-(2-nitroanilino)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopropyl-N-[2-(2-nitroanilino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopropyl-N-[2-(2-nitroanilino)ethyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of (3R)-1-cyclopropyl-N-[2-(2-nitroanilino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AMGDRWLTQNEXCB-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N4O4/c21-15-9-11(10-19(15)12-5-6-12)16(22)18-8-7-17-13-3-1-2-4-14(13)20(23)24/h1-4,11-12,17H,5-10H2,(H,18,22)/t11-/m1/s1.
What are the key properties of (3R)-1-cyclopropyl-N-[2-(2-nitroanilino)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-cyclopropyl-N-[2-(2-nitroanilino)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyl-N-[2-(2-nitroanilino)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94074863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).