(2S)-3-cyclohexyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid

C15H23NO5 — CID 168692821

IUPAC(2S)-3-cyclohexyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid
SMILESCOC(=O)C1CC(=O)N([C@@H](CC2CCCCC2)C(=O)O)C1
InChIInChI=1S/C15H23NO5/c1-21-15(20)11-8-13(17)16(9-11)12(14(18)19)7-10-5-3-2-4-6-10/h10-12H,2-9H2,1H3,(H,18,19)/t11?,12-/m0/s1
InChIKeyRZOAKYYTTTUCAG-KIYNQFGBSA-N
MW297.35 g/mol
LogP1.43
Rot. Bonds5

About (2S)-3-cyclohexyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid

(2S)-3-cyclohexyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid (PubChem CID 168692821) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid
PubChem CID168692821
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name(2S)-3-cyclohexyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid
SMILESCOC(=O)C1CC(=O)N([C@@H](CC2CCCCC2)C(=O)O)C1
InChIInChI=1S/C15H23NO5/c1-21-15(20)11-8-13(17)16(9-11)12(14(18)19)7-10-5-3-2-4-6-10/h10-12H,2-9H2,1H3,(H,18,19)/t11?,12-/m0/s1
InChIKeyRZOAKYYTTTUCAG-KIYNQFGBSA-N
XLogP1.43
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-cyclopropyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168692820
2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanedioic acid
CID 168692750
5-(diaminomethylideneamino)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168692755
(2S)-3-(4-hydroxyphenyl)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168692841
methyl 1-(5-methylhexan-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168692553
methyl 1-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168692637
(2S)-2-(4-acetylsulfanyl-2-oxopyrrolidin-1-yl)-3-cyclopropylpropanoic acid
CID 168704554
(2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
CID 168692814
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
methyl 1-(1-hydroxydodecyl)-5-oxopyrrolidine-3-carboxylate
CID 175203530
1-(1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690223
3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoic acid
CID 168692745

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid?
The IUPAC name of (2S)-3-cyclohexyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid (CID 168692821) is (2S)-3-cyclohexyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for (2S)-3-cyclohexyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid?
The canonical SMILES for (2S)-3-cyclohexyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid is COC(=O)C1CC(=O)N([C@@H](CC2CCCCC2)C(=O)O)C1.
What is the InChIKey of (2S)-3-cyclohexyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid?
The InChIKey is RZOAKYYTTTUCAG-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H23NO5/c1-21-15(20)11-8-13(17)16(9-11)12(14(18)19)7-10-5-3-2-4-6-10/h10-12H,2-9H2,1H3,(H,18,19)/t11?,12-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid?
(2S)-3-cyclohexyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid has a molecular weight of 297.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 168692821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).