[(2R,3S,4S)-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamic acid

C13H16N2O4 — CID 154983238

IUPAC[(2R,3S,4S)-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamic acid
SMILESCOc1ccc([C@H]2NC(=O)[C@@H](C)[C@@H]2NC(=O)O)cc1
InChIInChI=1S/C13H16N2O4/c1-7-10(15-13(17)18)11(14-12(7)16)8-3-5-9(19-2)6-4-8/h3-7,10-11,15H,1-2H3,(H,14,16)(H,17,18)/t7-,10-,11+/m0/s1
InChIKeyOXGQWCCOCQCIDL-BKDNQFJXSA-N
MW264.28 g/mol
LogP1.14
Rot. Bonds3

About [(2R,3S,4S)-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamic acid

[(2R,3S,4S)-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamic acid (PubChem CID 154983238) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is [(2R,3S,4S)-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(2R,3S,4S)-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamic acid
PubChem CID154983238
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name[(2R,3S,4S)-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamic acid
SMILESCOc1ccc([C@H]2NC(=O)[C@@H](C)[C@@H]2NC(=O)O)cc1
InChIInChI=1S/C13H16N2O4/c1-7-10(15-13(17)18)11(14-12(7)16)8-3-5-9(19-2)6-4-8/h3-7,10-11,15H,1-2H3,(H,14,16)(H,17,18)/t7-,10-,11+/m0/s1
InChIKeyOXGQWCCOCQCIDL-BKDNQFJXSA-N
XLogP1.14
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-(4-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 154983197
3-amino-4-(4-methoxyphenyl)azetidin-2-one
CID 82402822
(3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one
CID 11171849
(1E,7E)-5,12-bis(4-methoxyphenyl)-6,7,13,14-tetramethyl-1,2,4,8,9,11-hexazacyclotetradeca-7,14-diene-3,10-dione
CID 177442101
(3S,4R)-4-(4-methoxyphenyl)-2-oxopiperidine-3-carboxylic acid
CID 140888273
N-[(3S,4R)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]-4-methylbenzamide
CID 124664282
(2R,3R)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-pyridin-6-one
CID 10330960
methyl 4-(4-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 4574997
5-(4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxylic acid
CID 18961071
4-methoxy-N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide
CID 126061360
[(2R,3S)-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]carbamic acid
CID 57107032
N-[(3R,4R)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]-3-methylbenzamide
CID 40931927

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S)-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(2R,3S,4S)-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamic acid (CID 154983238) is [(2R,3S,4S)-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(2R,3S,4S)-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(2R,3S,4S)-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamic acid is COc1ccc([C@H]2NC(=O)[C@@H](C)[C@@H]2NC(=O)O)cc1.
What is the InChIKey of [(2R,3S,4S)-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamic acid?
The InChIKey is OXGQWCCOCQCIDL-BKDNQFJXSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-7-10(15-13(17)18)11(14-12(7)16)8-3-5-9(19-2)6-4-8/h3-7,10-11,15H,1-2H3,(H,14,16)(H,17,18)/t7-,10-,11+/m0/s1.
What are the key properties of [(2R,3S,4S)-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamic acid?
[(2R,3S,4S)-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamic acid has a molecular weight of 264.28 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S)-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 154983238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).