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

C20H26F2N4O5 — CID 118712593

IUPAC(2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide
SMILESO=CN(O)C[C@@H](CC1CCCC1)C(=O)N1C[C@@H](F)C[C@H]1C(=O)/N=c1\ccc(F)cn1O
InChIInChI=1S/C20H26F2N4O5/c21-15-5-6-18(26(31)11-15)23-19(28)17-8-16(22)10-25(17)20(29)14(9-24(30)12-27)7-13-3-1-2-4-13/h5-6,11-14,16-17,30-31H,1-4,7-10H2/b23-18+/t14-,16+,17+/m1/s1
InChIKeyYGDCJWSHARFZPG-WMYMJFRVSA-N
MW440.45 g/mol
LogP1.27
Rot. Bonds7

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

(2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide (PubChem CID 118712593) has the molecular formula C20H26F2N4O5 and a molecular weight of 440.45 g/mol. Its IUPAC name is (2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide
PubChem CID118712593
Molecular FormulaC20H26F2N4O5
Molecular Weight440.45 g/mol
Exact Mass440.19
IUPAC Name(2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide
SMILESO=CN(O)C[C@@H](CC1CCCC1)C(=O)N1C[C@@H](F)C[C@H]1C(=O)/N=c1\ccc(F)cn1O
InChIInChI=1S/C20H26F2N4O5/c21-15-5-6-18(26(31)11-15)23-19(28)17-8-16(22)10-25(17)20(29)14(9-24(30)12-27)7-13-3-1-2-4-13/h5-6,11-14,16-17,30-31H,1-4,7-10H2/b23-18+/t14-,16+,17+/m1/s1
InChIKeyYGDCJWSHARFZPG-WMYMJFRVSA-N
XLogP1.27
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 51.27
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'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide (CID 118712593) is (2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide is O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1C[C@@H](F)C[C@H]1C(=O)/N=c1\ccc(F)cn1O.
What is the InChIKey of (2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide?
The InChIKey is YGDCJWSHARFZPG-WMYMJFRVSA-N. The full InChI is InChI=1S/C20H26F2N4O5/c21-15-5-6-18(26(31)11-15)23-19(28)17-8-16(22)10-25(17)20(29)14(9-24(30)12-27)7-13-3-1-2-4-13/h5-6,11-14,16-17,30-31H,1-4,7-10H2/b23-18+/t14-,16+,17+/m1/s1.
What are the key properties of (2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide?
(2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide has a molecular weight of 440.45 g/mol, XLogP of 1.27, 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]-4-fluoro-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide is sourced from PubChem (CID 118712593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).