(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-[(3R)-3-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]pyrrolidin-1-yl]-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide

C32H51N5O5 — CID 78320897

IUPAC(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-[(3R)-3-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]pyrrolidin-1-yl]-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](CC2CCCC2)CN(O)C=O)C(C)(C)C)C1
InChIInChI=1S/C32H51N5O5/c1-32(2,3)29(33-30(39)26(21-37(41)23-38)19-24-7-5-6-8-24)31(40)36-14-13-28(22-36)34(4)20-25-9-11-27(12-10-25)35-15-17-42-18-16-35/h9-12,23-24,26,28-29,41H,5-8,13-22H2,1-4H3,(H,33,39)/t26-,28-,29-/m1/s1
InChIKeyAHULVIKDZYAXSU-CRXYYGHGSA-N
MW585.79 g/mol
LogP3.13
Rot. Bonds12

About (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-[(3R)-3-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]pyrrolidin-1-yl]-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide

(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-[(3R)-3-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]pyrrolidin-1-yl]-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide (PubChem CID 78320897) has the molecular formula C32H51N5O5 and a molecular weight of 585.79 g/mol. Its IUPAC name is (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-[(3R)-3-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]pyrrolidin-1-yl]-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide.

Molecular Properties

Compound Name(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-[(3R)-3-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]pyrrolidin-1-yl]-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide
PubChem CID78320897
Molecular FormulaC32H51N5O5
Molecular Weight585.79 g/mol
Exact Mass585.39
IUPAC Name(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-[(3R)-3-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]pyrrolidin-1-yl]-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](CC2CCCC2)CN(O)C=O)C(C)(C)C)C1
InChIInChI=1S/C32H51N5O5/c1-32(2,3)29(33-30(39)26(21-37(41)23-38)19-24-7-5-6-8-24)31(40)36-14-13-28(22-36)34(4)20-25-9-11-27(12-10-25)35-15-17-42-18-16-35/h9-12,23-24,26,28-29,41H,5-8,13-22H2,1-4H3,(H,33,39)/t26-,28-,29-/m1/s1
InChIKeyAHULVIKDZYAXSU-CRXYYGHGSA-N
XLogP3.13
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.79
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-[(3R)-3-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]pyrrolidin-1-yl]-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide 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)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-[(3R)-3-[methyl-[(2,4,5-trifluorophenyl)methyl]amino]pyrrolidin-1-yl]-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide
CID 78319357
(2R)-2-(cyclopentylmethyl)-N-[(2S)-1-[(1R)-7-[(4-fluorophenyl)methyl]-3,7-diazabicyclo[4.1.0]heptan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide
CID 142706636
(2S)-N-[(2R)-1-[4-[(4-acetamidophenyl)methylamino]piperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
CID 91173682
(2R)-N-[(2S)-1-[(3S)-3-[(4-cyanophenyl)methylamino]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
CID 78320574
(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-[3-(5-methyl-1,3-dihydroisoindol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide
CID 74220830
(2R)-2-(cyclopentylmethyl)-N-[(2S)-1-[4-(4,7-difluoro-1,3-dihydroisoindol-2-yl)piperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide
CID 74221028
N-[1-[2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-3,3-dimethylbutanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 72567596
(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]-N-[(2S)-1-[4-(1H-indol-5-ylmethylamino)piperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide
CID 127044590
benzyl 4-[(2S)-2-[[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-3,3-dimethylbutanoyl]-1,4-diazepane-1-carboxylate
CID 58893016
(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-(4,5,6,7-tetrafluoro-1,3-dihydroisoindol-2-yl)piperidin-1-yl]butan-2-yl]-3-[formyl(hydroxy)amino]propanamide
CID 74220896
4-[1-[2-[[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-3,3-dimethylbutanoyl]piperidin-4-yl]oxy-N-methylbenzamide
CID 59979614
(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,6S)-7-[(2,4,5-trifluorophenyl)methyl]-3,7-diazabicyclo[4.1.0]heptan-3-yl]butan-2-yl]-3-[formyl(hydroxy)amino]propanamide
CID 52933268

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-[(3R)-3-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]pyrrolidin-1-yl]-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide?
The IUPAC name of (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-[(3R)-3-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]pyrrolidin-1-yl]-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide (CID 78320897) is (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-[(3R)-3-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]pyrrolidin-1-yl]-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide.
What is the SMILES notation for (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-[(3R)-3-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]pyrrolidin-1-yl]-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide?
The canonical SMILES for (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-[(3R)-3-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]pyrrolidin-1-yl]-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide is CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](CC2CCCC2)CN(O)C=O)C(C)(C)C)C1.
What is the InChIKey of (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-[(3R)-3-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]pyrrolidin-1-yl]-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide?
The InChIKey is AHULVIKDZYAXSU-CRXYYGHGSA-N. The full InChI is InChI=1S/C32H51N5O5/c1-32(2,3)29(33-30(39)26(21-37(41)23-38)19-24-7-5-6-8-24)31(40)36-14-13-28(22-36)34(4)20-25-9-11-27(12-10-25)35-15-17-42-18-16-35/h9-12,23-24,26,28-29,41H,5-8,13-22H2,1-4H3,(H,33,39)/t26-,28-,29-/m1/s1.
What are the key properties of (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-[(3R)-3-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]pyrrolidin-1-yl]-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide?
(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-[(3R)-3-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]pyrrolidin-1-yl]-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide has a molecular weight of 585.79 g/mol, XLogP of 3.13, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-[(3R)-3-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]pyrrolidin-1-yl]-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide is sourced from PubChem (CID 78320897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).