(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(cyclopropanecarbonylamino)methyl]pyrrolidine-2-carboxamide

C20H32N4O5 — CID 16755320

IUPAC(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(cyclopropanecarbonylamino)methyl]pyrrolidine-2-carboxamide
SMILESO=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NCNC(=O)C1CC1
InChIInChI=1S/C20H32N4O5/c25-13-23(29)11-16(10-14-4-1-2-5-14)20(28)24-9-3-6-17(24)19(27)22-12-21-18(26)15-7-8-15/h13-17,29H,1-12H2,(H,21,26)(H,22,27)/t16-,17+/m1/s1
InChIKeyWRMXVGBFUXSPQR-SJORKVTESA-N
MW408.50 g/mol
LogP0.62
Rot. Bonds10

About (2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(cyclopropanecarbonylamino)methyl]pyrrolidine-2-carboxamide

(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(cyclopropanecarbonylamino)methyl]pyrrolidine-2-carboxamide (PubChem CID 16755320) has the molecular formula C20H32N4O5 and a molecular weight of 408.50 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(cyclopropanecarbonylamino)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(cyclopropanecarbonylamino)methyl]pyrrolidine-2-carboxamide
PubChem CID16755320
Molecular FormulaC20H32N4O5
Molecular Weight408.50 g/mol
Exact Mass408.24
IUPAC Name(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(cyclopropanecarbonylamino)methyl]pyrrolidine-2-carboxamide
SMILESO=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NCNC(=O)C1CC1
InChIInChI=1S/C20H32N4O5/c25-13-23(29)11-16(10-14-4-1-2-5-14)20(28)24-9-3-6-17(24)19(27)22-12-21-18(26)15-7-8-15/h13-17,29H,1-12H2,(H,21,26)(H,22,27)/t16-,17+/m1/s1
InChIKeyWRMXVGBFUXSPQR-SJORKVTESA-N
XLogP0.62
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(2R)-2-(cyclobutylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(3Z)-hexa-1,3,5-trien-2-yl]pyrrolidine-2-carboxamide
CID 89331750
N-[(2R)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carbonyl]pyridine-4-carboxamide
CID 87353973
N-[(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carbonyl]-2,5-dimethyl-3,4-dihydropyrazole-3-carboxamide
CID 88927964
tert-butyl 3-[3-[[(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-oxopropyl]pyrrolidine-1-carboxylate
CID 143403643
1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide
CID 16738836
N-[(2R)-2-(cyclopentylmethyl)-3-[2-(2-methoxyacetyl)diazinan-1-yl]-3-oxopropyl]-N-hydroxyformamide
CID 56680553
(4-methylcyclohexyl) N-[[(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidin-2-yl]-hydroxymethyl]carbamate
CID 143403656
2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
CID 141033463
N-[2-(2-formylpyrrolidine-1-carbonyl)-4-methyloctyl]-N-hydroxyformamide;N-methylcyclopropanecarboxamide
CID 143403676
N-[(2R)-2-(cyclopentylmethyl)-3-[2-(furan-3-carbonyl)diazinan-1-yl]-3-oxopropyl]-N-hydroxyformamide
CID 56663530
(2S)-N-acetyl-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(phenylmethoxy)amino]propanoyl]pyrrolidine-2-carboxamide
CID 143403622
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 25188984

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(cyclopropanecarbonylamino)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(cyclopropanecarbonylamino)methyl]pyrrolidine-2-carboxamide (CID 16755320) is (2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(cyclopropanecarbonylamino)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(cyclopropanecarbonylamino)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(cyclopropanecarbonylamino)methyl]pyrrolidine-2-carboxamide is O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NCNC(=O)C1CC1.
What is the InChIKey of (2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(cyclopropanecarbonylamino)methyl]pyrrolidine-2-carboxamide?
The InChIKey is WRMXVGBFUXSPQR-SJORKVTESA-N. The full InChI is InChI=1S/C20H32N4O5/c25-13-23(29)11-16(10-14-4-1-2-5-14)20(28)24-9-3-6-17(24)19(27)22-12-21-18(26)15-7-8-15/h13-17,29H,1-12H2,(H,21,26)(H,22,27)/t16-,17+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(cyclopropanecarbonylamino)methyl]pyrrolidine-2-carboxamide?
(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(cyclopropanecarbonylamino)methyl]pyrrolidine-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 0.62, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(cyclopropanecarbonylamino)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 16755320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).