(2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-prop-2-enoxyphenyl)pyrrolidin-1-yl]propanamide

C17H22N2O4 — CID 10958121

IUPAC(2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-prop-2-enoxyphenyl)pyrrolidin-1-yl]propanamide
SMILESC=CCOc1ccc([C@]2(C)CCN([C@H](C)C(=O)NO)C2=O)cc1
InChIInChI=1S/C17H22N2O4/c1-4-11-23-14-7-5-13(6-8-14)17(3)9-10-19(16(17)21)12(2)15(20)18-22/h4-8,12,22H,1,9-11H2,2-3H3,(H,18,20)/t12-,17+/m1/s1
InChIKeyMJJPSHCMTYJCDM-PXAZEXFGSA-N
MW318.37 g/mol
LogP1.64
Rot. Bonds6

About (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-prop-2-enoxyphenyl)pyrrolidin-1-yl]propanamide

(2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-prop-2-enoxyphenyl)pyrrolidin-1-yl]propanamide (PubChem CID 10958121) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-prop-2-enoxyphenyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-prop-2-enoxyphenyl)pyrrolidin-1-yl]propanamide
PubChem CID10958121
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name(2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-prop-2-enoxyphenyl)pyrrolidin-1-yl]propanamide
SMILESC=CCOc1ccc([C@]2(C)CCN([C@H](C)C(=O)NO)C2=O)cc1
InChIInChI=1S/C17H22N2O4/c1-4-11-23-14-7-5-13(6-8-14)17(3)9-10-19(16(17)21)12(2)15(20)18-22/h4-8,12,22H,1,9-11H2,2-3H3,(H,18,20)/t12-,17+/m1/s1
InChIKeyMJJPSHCMTYJCDM-PXAZEXFGSA-N
XLogP1.64
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Isobutyl-3-(N'-hydroxycarbonylamido)propanoyl)-O-methyltyrosinemethylamide
CID 128564
Pkf-242-484
CID 9886977
SL422
CID 10344307
(R)-N4-hydroxy-N1-((S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl)-2-(5-phenoxypentyl)succinamide
CID 10343996
N*4*-Hydroxy-2-isobutyl-N*1*-[2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethyl]-3-methyl-succinamide
CID 44293416
(6S,7R,10S)-10-N-[(2S)-5-(diaminomethylideneamino)-1-(methylamino)-1-oxopentan-2-yl]-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide
CID 155097042
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-(4-methoxyphenyl)-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895807
6-[[(2S)-2-azaniumyl-3-(4-phenylmethoxyphenyl)propyl]-hydroxyamino]-6-oxohexanoate
CID 44629595
(2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-[4-(4-methoxyphenoxy)butyl]butanediamide
CID 10048718
(7S,8R,11S)-7-N-hydroxy-11-N-methyl-9-oxo-8-[2-(4-propylphenyl)ethyl]-2-oxa-10-azabicyclo[11.2.2]heptadeca-1(15),13,16-triene-7,11-dicarboxamide
CID 10324032
(7S,8R,11S)-7-N-hydroxy-11-N-methyl-9-oxo-8-(4-phenylmethoxybutyl)-2-oxa-10-azabicyclo[11.2.2]heptadeca-1(15),13,16-triene-7,11-dicarboxamide
CID 44306277
(7S,8R,11S)-7-N-hydroxy-11-N-methyl-8-[3-(4-methylphenyl)propyl]-9-oxo-2-oxa-10-azabicyclo[11.2.2]heptadeca-1(15),13,16-triene-7,11-dicarboxamide
CID 44306279

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-prop-2-enoxyphenyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-prop-2-enoxyphenyl)pyrrolidin-1-yl]propanamide (CID 10958121) is (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-prop-2-enoxyphenyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-prop-2-enoxyphenyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-prop-2-enoxyphenyl)pyrrolidin-1-yl]propanamide is C=CCOc1ccc([C@]2(C)CCN([C@H](C)C(=O)NO)C2=O)cc1.
What is the InChIKey of (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-prop-2-enoxyphenyl)pyrrolidin-1-yl]propanamide?
The InChIKey is MJJPSHCMTYJCDM-PXAZEXFGSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-4-11-23-14-7-5-13(6-8-14)17(3)9-10-19(16(17)21)12(2)15(20)18-22/h4-8,12,22H,1,9-11H2,2-3H3,(H,18,20)/t12-,17+/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-prop-2-enoxyphenyl)pyrrolidin-1-yl]propanamide?
(2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-prop-2-enoxyphenyl)pyrrolidin-1-yl]propanamide has a molecular weight of 318.37 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-(4-prop-2-enoxyphenyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 10958121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).