(2R)-2-N-(3-methylbutyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide

C17H24N4O4 — CID 7441368

IUPAC(2R)-2-N-(3-methylbutyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(C)CCNC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H24N4O4/c1-12(2)9-10-18-16(22)15-8-5-11-20(15)17(23)19-13-6-3-4-7-14(13)21(24)25/h3-4,6-7,12,15H,5,8-11H2,1-2H3,(H,18,22)(H,19,23)/t15-/m1/s1
InChIKeyDCYBMZXCVZUDDG-OAHLLOKOSA-N
MW348.40 g/mol
LogP2.75
Rot. Bonds6

About (2R)-2-N-(3-methylbutyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide

(2R)-2-N-(3-methylbutyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 7441368) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is (2R)-2-N-(3-methylbutyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-(3-methylbutyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID7441368
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name(2R)-2-N-(3-methylbutyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(C)CCNC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H24N4O4/c1-12(2)9-10-18-16(22)15-8-5-11-20(15)17(23)19-13-6-3-4-7-14(13)21(24)25/h3-4,6-7,12,15H,5,8-11H2,1-2H3,(H,18,22)(H,19,23)/t15-/m1/s1
InChIKeyDCYBMZXCVZUDDG-OAHLLOKOSA-N
XLogP2.75
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-N-(3-methylbutyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide 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

(2S)-2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
CID 7441391
(2S)-2-N-(2,6-dimethoxyphenyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
CID 7441407
(2S)-2-(2-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide
CID 94080933
(2S)-2-(4-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide
CID 51855647
(2R)-2-N-benzyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1441944
(2R)-2-N-propan-2-yl-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 1443259
tert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
CID 70050480
tert-butyl 2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
CID 57153522
N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119498752
N-(3-methylbutyl)-2-nitroaniline
CID 21476259
2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide
CID 119919331
(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28510076

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-(3-methylbutyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-(3-methylbutyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide (CID 7441368) is (2R)-2-N-(3-methylbutyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-(3-methylbutyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-(3-methylbutyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide is CC(C)CCNC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2R)-2-N-(3-methylbutyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is DCYBMZXCVZUDDG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-12(2)9-10-18-16(22)15-8-5-11-20(15)17(23)19-13-6-3-4-7-14(13)21(24)25/h3-4,6-7,12,15H,5,8-11H2,1-2H3,(H,18,22)(H,19,23)/t15-/m1/s1.
What are the key properties of (2R)-2-N-(3-methylbutyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
(2R)-2-N-(3-methylbutyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 348.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-(3-methylbutyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 7441368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).