(2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-4-methylpyrrolidine-2-carboxamide

C21H29FN4O5 — CID 118712595

IUPAC(2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-4-methylpyrrolidine-2-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)/N=c2\ccc(F)cn2O)N(C(=O)[C@H](CC2CCCC2)CN(O)C=O)C1
InChIInChI=1S/C21H29FN4O5/c1-14-8-18(20(28)23-19-7-6-17(22)12-26(19)31)25(10-14)21(29)16(11-24(30)13-27)9-15-4-2-3-5-15/h6-7,12-16,18,30-31H,2-5,8-11H2,1H3/b23-19+/t14-,16+,18-/m0/s1
InChIKeyXWBXKLOYTIFTLZ-GPAPZMPTSA-N
MW436.48 g/mol
LogP1.57
Rot. Bonds7

About (2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-4-methylpyrrolidine-2-carboxamide

(2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-4-methylpyrrolidine-2-carboxamide (PubChem CID 118712595) has the molecular formula C21H29FN4O5 and a molecular weight of 436.48 g/mol. Its IUPAC name is (2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-4-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-4-methylpyrrolidine-2-carboxamide
PubChem CID118712595
Molecular FormulaC21H29FN4O5
Molecular Weight436.48 g/mol
Exact Mass436.21
IUPAC Name(2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-4-methylpyrrolidine-2-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)/N=c2\ccc(F)cn2O)N(C(=O)[C@H](CC2CCCC2)CN(O)C=O)C1
InChIInChI=1S/C21H29FN4O5/c1-14-8-18(20(28)23-19-7-6-17(22)12-26(19)31)25(10-14)21(29)16(11-24(30)13-27)9-15-4-2-3-5-15/h6-7,12-16,18,30-31H,2-5,8-11H2,1H3/b23-19+/t14-,16+,18-/m0/s1
InChIKeyXWBXKLOYTIFTLZ-GPAPZMPTSA-N
XLogP1.57
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 51.57
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': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-4-methylpyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-4-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-4-methylpyrrolidine-2-carboxamide (CID 118712595) is (2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-4-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-4-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-4-methylpyrrolidine-2-carboxamide is C[C@H]1C[C@@H](C(=O)/N=c2\ccc(F)cn2O)N(C(=O)[C@H](CC2CCCC2)CN(O)C=O)C1.
What is the InChIKey of (2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-4-methylpyrrolidine-2-carboxamide?
The InChIKey is XWBXKLOYTIFTLZ-GPAPZMPTSA-N. The full InChI is InChI=1S/C21H29FN4O5/c1-14-8-18(20(28)23-19-7-6-17(22)12-26(19)31)25(10-14)21(29)16(11-24(30)13-27)9-15-4-2-3-5-15/h6-7,12-16,18,30-31H,2-5,8-11H2,1H3/b23-19+/t14-,16+,18-/m0/s1.
What are the key properties of (2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-4-methylpyrrolidine-2-carboxamide?
(2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-4-methylpyrrolidine-2-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-4-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 118712595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).