(2S)-1-[(3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-phenylpyrrolidine-2-carboxamide

C24H29N3O5 — CID 142815758

IUPAC(2S)-1-[(3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-phenylpyrrolidine-2-carboxamide
SMILESCCC(C(=O)NO)C(C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C24H29N3O5/c1-3-19(22(28)26-31)21(16-11-13-18(32-2)14-12-16)24(30)27-15-7-10-20(27)23(29)25-17-8-5-4-6-9-17/h4-6,8-9,11-14,19-21,31H,3,7,10,15H2,1-2H3,(H,25,29)(H,26,28)/t19?,20-,21?/m0/s1
InChIKeySUWFGBCOVKQYMJ-KBWCOIMZSA-N
MW439.51 g/mol
LogP2.94
Rot. Bonds8

About (2S)-1-[(3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-phenylpyrrolidine-2-carboxamide

(2S)-1-[(3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-phenylpyrrolidine-2-carboxamide (PubChem CID 142815758) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is (2S)-1-[(3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-phenylpyrrolidine-2-carboxamide
PubChem CID142815758
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name(2S)-1-[(3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-phenylpyrrolidine-2-carboxamide
SMILESCCC(C(=O)NO)C(C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C24H29N3O5/c1-3-19(22(28)26-31)21(16-11-13-18(32-2)14-12-16)24(30)27-15-7-10-20(27)23(29)25-17-8-5-4-6-9-17/h4-6,8-9,11-14,19-21,31H,3,7,10,15H2,1-2H3,(H,25,29)(H,26,28)/t19?,20-,21?/m0/s1
InChIKeySUWFGBCOVKQYMJ-KBWCOIMZSA-N
XLogP2.94
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]piperidin-2-yl] N-phenylcarbamate
CID 87502378
2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814318
(2R)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-N-phenylpyrrolidine-2-carboxamide
CID 146500299
(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 22809937
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
(2S)-1-benzoyl-N-[(1S)-2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 162739482
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717
(2S)-N-[(1S)-2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide
CID 162739427
(2S)-1-[(2S)-2-[(1S)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(3-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 23520269
1-[(2S)-2-[(1S)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(3-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 59908571
(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828173

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-phenylpyrrolidine-2-carboxamide (CID 142815758) is (2S)-1-[(3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-phenylpyrrolidine-2-carboxamide is CCC(C(=O)NO)C(C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of (2S)-1-[(3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is SUWFGBCOVKQYMJ-KBWCOIMZSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-3-19(22(28)26-31)21(16-11-13-18(32-2)14-12-16)24(30)27-15-7-10-20(27)23(29)25-17-8-5-4-6-9-17/h4-6,8-9,11-14,19-21,31H,3,7,10,15H2,1-2H3,(H,25,29)(H,26,28)/t19?,20-,21?/m0/s1.
What are the key properties of (2S)-1-[(3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-phenylpyrrolidine-2-carboxamide?
(2S)-1-[(3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 439.51 g/mol, XLogP of 2.94, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 142815758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).