(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide

C18H26N2O4 — CID 10991253

IUPAC(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(OC(C)(C)C)cc2)C1=O
InChIInChI=1S/C18H26N2O4/c1-12(15(21)19-23)20-11-10-18(5,16(20)22)13-6-8-14(9-7-13)24-17(2,3)4/h6-9,12,23H,10-11H2,1-5H3,(H,19,21)/t12-,18+/m1/s1
InChIKeyGIIDEADTCZPLKY-XIKOKIGWSA-N
MW334.42 g/mol
LogP2.25
Rot. Bonds4

About (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide

(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide (PubChem CID 10991253) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide
PubChem CID10991253
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(OC(C)(C)C)cc2)C1=O
InChIInChI=1S/C18H26N2O4/c1-12(15(21)19-23)20-11-10-18(5,16(20)22)13-6-8-14(9-7-13)24-17(2,3)4/h6-9,12,23H,10-11H2,1-5H3,(H,19,21)/t12-,18+/m1/s1
InChIKeyGIIDEADTCZPLKY-XIKOKIGWSA-N
XLogP2.25
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-(4-methoxyphenyl)-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895807
(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
(7S,8R,11S)-8-[3-(4-ethoxyphenyl)propyl]-7-N-hydroxy-11-N-methyl-9-oxo-2-oxa-10-azabicyclo[11.2.2]heptadeca-1(15),13,16-triene-7,11-dicarboxamide
CID 44330095
(2S,3R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-N4-hydroxy-2-(4-methoxyphenyl)-3-((3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl)succinamide
CID 44411052
cyclo[Asu(NHOH)(NHOH)-D-Tyr(Me)-aIle-D-Pro]
CID 56665606

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide?
The IUPAC name of (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide (CID 10991253) is (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide is C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(OC(C)(C)C)cc2)C1=O.
What is the InChIKey of (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide?
The InChIKey is GIIDEADTCZPLKY-XIKOKIGWSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12(15(21)19-23)20-11-10-18(5,16(20)22)13-6-8-14(9-7-13)24-17(2,3)4/h6-9,12,23H,10-11H2,1-5H3,(H,19,21)/t12-,18+/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide?
(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide has a molecular weight of 334.42 g/mol, XLogP of 2.25, 4 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-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide is sourced from PubChem (CID 10991253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).