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

C12H17NO5 — CID 168692820

IUPAC(2S)-3-cyclopropyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid
SMILESCOC(=O)C1CC(=O)N([C@@H](CC2CC2)C(=O)O)C1
InChIInChI=1S/C12H17NO5/c1-18-12(17)8-5-10(14)13(6-8)9(11(15)16)4-7-2-3-7/h7-9H,2-6H2,1H3,(H,15,16)/t8?,9-/m0/s1
InChIKeyOYSOSJKSTPDVIE-GKAPJAKFSA-N
MW255.27 g/mol
LogP0.26
Rot. Bonds5

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

(2S)-3-cyclopropyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid (PubChem CID 168692820) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is (2S)-3-cyclopropyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclopropyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid
PubChem CID168692820
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name(2S)-3-cyclopropyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid
SMILESCOC(=O)C1CC(=O)N([C@@H](CC2CC2)C(=O)O)C1
InChIInChI=1S/C12H17NO5/c1-18-12(17)8-5-10(14)13(6-8)9(11(15)16)4-7-2-3-7/h7-9H,2-6H2,1H3,(H,15,16)/t8?,9-/m0/s1
InChIKeyOYSOSJKSTPDVIE-GKAPJAKFSA-N
XLogP0.26
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-cyclohexyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168692821
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
(2S)-2-(4-acetylsulfanyl-2-oxopyrrolidin-1-yl)-3-cyclopropylpropanoic acid
CID 168704554
methyl 1-(5-methylhexan-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168692553
methyl 1-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168692637
(2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
CID 168692814
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
2-(2-fluorophenyl)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168692725

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopropyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid?
The IUPAC name of (2S)-3-cyclopropyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid (CID 168692820) is (2S)-3-cyclopropyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for (2S)-3-cyclopropyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid?
The canonical SMILES for (2S)-3-cyclopropyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid is COC(=O)C1CC(=O)N([C@@H](CC2CC2)C(=O)O)C1.
What is the InChIKey of (2S)-3-cyclopropyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid?
The InChIKey is OYSOSJKSTPDVIE-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H17NO5/c1-18-12(17)8-5-10(14)13(6-8)9(11(15)16)4-7-2-3-7/h7-9H,2-6H2,1H3,(H,15,16)/t8?,9-/m0/s1.
What are the key properties of (2S)-3-cyclopropyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid?
(2S)-3-cyclopropyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid has a molecular weight of 255.27 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopropyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 168692820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).