(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid

C9H16N2O3 — CID 168698750

IUPAC(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
SMILESCC(C)[C@@H](C(=O)O)N1CC(N)CC1=O
InChIInChI=1S/C9H16N2O3/c1-5(2)8(9(13)14)11-4-6(10)3-7(11)12/h5-6,8H,3-4,10H2,1-2H3,(H,13,14)/t6?,8-/m0/s1
InChIKeyWBFSUBZJESEBNC-XDKWHASVSA-N
MW200.24 g/mol
LogP-0.34
Rot. Bonds3

About (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid

(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid (PubChem CID 168698750) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
PubChem CID168698750
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
SMILESCC(C)[C@@H](C(=O)O)N1CC(N)CC1=O
InChIInChI=1S/C9H16N2O3/c1-5(2)8(9(13)14)11-4-6(10)3-7(11)12/h5-6,8H,3-4,10H2,1-2H3,(H,13,14)/t6?,8-/m0/s1
InChIKeyWBFSUBZJESEBNC-XDKWHASVSA-N
XLogP-0.34
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid
CID 168698683
(2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716442
3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716429
(2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid
CID 67918001
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 168713114
2-(4-acetylsulfanyl-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 168704266
4-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolidin-2-one
CID 131038054
(2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid
CID 168698989
3-hydroxy-2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]butanoic acid
CID 168669110
(2R,3S)-2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid
CID 168506448
(2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680118
3-hydroxy-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716351

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid?
The IUPAC name of (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid (CID 168698750) is (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid is CC(C)[C@@H](C(=O)O)N1CC(N)CC1=O.
What is the InChIKey of (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid?
The InChIKey is WBFSUBZJESEBNC-XDKWHASVSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-5(2)8(9(13)14)11-4-6(10)3-7(11)12/h5-6,8H,3-4,10H2,1-2H3,(H,13,14)/t6?,8-/m0/s1.
What are the key properties of (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid?
(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid is sourced from PubChem (CID 168698750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).