(2R)-N-(3-cyanobenzoyl)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-2-methylpyrrolidin-1-ium-1-carboxamide

C24H31N4O5+ — CID 90888896

IUPAC(2R)-N-(3-cyanobenzoyl)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-2-methylpyrrolidin-1-ium-1-carboxamide
SMILESC[C@@H]1CCC[N+]1(C(=O)NC(=O)c1cccc(C#N)c1)C(=O)[C@H](CC1CCCC1)CN(O)C=O
InChIInChI=1S/C24H30N4O5/c1-17-6-5-11-28(17,24(32)26-22(30)20-10-4-9-19(13-20)14-25)23(31)21(15-27(33)16-29)12-18-7-2-3-8-18/h4,9-10,13,16-18,21,33H,2-3,5-8,11-12,15H2,1H3/p+1/t17-,21-,28?/m1/s1
InChIKeyAXGJSNAZHHCNDO-IVVREGMNSA-O
MW455.54 g/mol
LogP2.98
Rot. Bonds7

About (2R)-N-(3-cyanobenzoyl)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-2-methylpyrrolidin-1-ium-1-carboxamide

(2R)-N-(3-cyanobenzoyl)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-2-methylpyrrolidin-1-ium-1-carboxamide (PubChem CID 90888896) has the molecular formula C24H31N4O5+ and a molecular weight of 455.54 g/mol. Its IUPAC name is (2R)-N-(3-cyanobenzoyl)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-2-methylpyrrolidin-1-ium-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-cyanobenzoyl)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-2-methylpyrrolidin-1-ium-1-carboxamide
PubChem CID90888896
Molecular FormulaC24H31N4O5+
Molecular Weight455.54 g/mol
Exact Mass455.23
IUPAC Name(2R)-N-(3-cyanobenzoyl)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-2-methylpyrrolidin-1-ium-1-carboxamide
SMILESC[C@@H]1CCC[N+]1(C(=O)NC(=O)c1cccc(C#N)c1)C(=O)[C@H](CC1CCCC1)CN(O)C=O
InChIInChI=1S/C24H30N4O5/c1-17-6-5-11-28(17,24(32)26-22(30)20-10-4-9-19(13-20)14-25)23(31)21(15-27(33)16-29)12-18-7-2-3-8-18/h4,9-10,13,16-18,21,33H,2-3,5-8,11-12,15H2,1H3/p+1/t17-,21-,28?/m1/s1
InChIKeyAXGJSNAZHHCNDO-IVVREGMNSA-O
XLogP2.98
TPSA127.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (2R)-N-(3-cyanobenzoyl)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-2-methylpyrrolidin-1-ium-1-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

(2R)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(4-methoxyphenyl)carbamoyl]-2-methylpyrrolidin-1-ium-1-carboxamide
CID 90714141
(2R)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-2-methyl-N-(oxolan-2-ylmethylcarbamoyl)pyrrolidin-1-ium-1-carboxamide
CID 91014707
(2S)-1-[(2S)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-1-(3-methylbutanoyl)pyrrolidin-1-ium-2-carboxamide
CID 87704793
[(2S)-1-methoxypropan-2-yl] N-[(2R)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-2,3,3-trimethylpyrrolidin-1-ium-1-carbonyl]carbamate
CID 91309372
4-cyano-N-[1-[2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-3-methylbutanoyl]piperidin-4-yl]benzamide
CID 72567617
4-cyano-N-[1-[(2S)-2-[[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-3-methylbutanoyl]piperidin-4-yl]benzamide
CID 59808828
3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404837
(2R)-N-[(2S)-1-[4-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
CID 74221349
3-cyano-N-[(1R)-1-cyclopropylethyl]benzamide
CID 51547055
3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide
CID 51547056
N-[(2R)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carbonyl]pyridine-4-carboxamide
CID 87353973
3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294478

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyanobenzoyl)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-2-methylpyrrolidin-1-ium-1-carboxamide?
The IUPAC name of (2R)-N-(3-cyanobenzoyl)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-2-methylpyrrolidin-1-ium-1-carboxamide (CID 90888896) is (2R)-N-(3-cyanobenzoyl)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-2-methylpyrrolidin-1-ium-1-carboxamide.
What is the SMILES notation for (2R)-N-(3-cyanobenzoyl)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-2-methylpyrrolidin-1-ium-1-carboxamide?
The canonical SMILES for (2R)-N-(3-cyanobenzoyl)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-2-methylpyrrolidin-1-ium-1-carboxamide is C[C@@H]1CCC[N+]1(C(=O)NC(=O)c1cccc(C#N)c1)C(=O)[C@H](CC1CCCC1)CN(O)C=O.
What is the InChIKey of (2R)-N-(3-cyanobenzoyl)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-2-methylpyrrolidin-1-ium-1-carboxamide?
The InChIKey is AXGJSNAZHHCNDO-IVVREGMNSA-O. The full InChI is InChI=1S/C24H30N4O5/c1-17-6-5-11-28(17,24(32)26-22(30)20-10-4-9-19(13-20)14-25)23(31)21(15-27(33)16-29)12-18-7-2-3-8-18/h4,9-10,13,16-18,21,33H,2-3,5-8,11-12,15H2,1H3/p+1/t17-,21-,28?/m1/s1.
What are the key properties of (2R)-N-(3-cyanobenzoyl)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-2-methylpyrrolidin-1-ium-1-carboxamide?
(2R)-N-(3-cyanobenzoyl)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-2-methylpyrrolidin-1-ium-1-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyanobenzoyl)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-2-methylpyrrolidin-1-ium-1-carboxamide is sourced from PubChem (CID 90888896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).