methyl (2S)-2-amino-3-hydroxy-4-(2-oxopyrrolidin-1-yl)butanoate

C9H16N2O4 — CID 70853085

IUPACmethyl (2S)-2-amino-3-hydroxy-4-(2-oxopyrrolidin-1-yl)butanoate
SMILESCOC(=O)[C@@H](N)C(O)CN1CCCC1=O
InChIInChI=1S/C9H16N2O4/c1-15-9(14)8(10)6(12)5-11-4-2-3-7(11)13/h6,8,12H,2-5,10H2,1H3/t6?,8-/m0/s1
InChIKeyGDGVVNDZNBQQMO-XDKWHASVSA-N
MW216.24 g/mol
LogP-1.53
Rot. Bonds4

About methyl (2S)-2-amino-3-hydroxy-4-(2-oxopyrrolidin-1-yl)butanoate

methyl (2S)-2-amino-3-hydroxy-4-(2-oxopyrrolidin-1-yl)butanoate (PubChem CID 70853085) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-hydroxy-4-(2-oxopyrrolidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-hydroxy-4-(2-oxopyrrolidin-1-yl)butanoate
PubChem CID70853085
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Namemethyl (2S)-2-amino-3-hydroxy-4-(2-oxopyrrolidin-1-yl)butanoate
SMILESCOC(=O)[C@@H](N)C(O)CN1CCCC1=O
InChIInChI=1S/C9H16N2O4/c1-15-9(14)8(10)6(12)5-11-4-2-3-7(11)13/h6,8,12H,2-5,10H2,1H3/t6?,8-/m0/s1
InChIKeyGDGVVNDZNBQQMO-XDKWHASVSA-N
XLogP-1.53
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-amino-3-hydroxy-4-(2-oxopyrrolidin-1-yl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-hydroxy-4-(2-oxopyrrolidin-1-yl)butanoate?
The IUPAC name of methyl (2S)-2-amino-3-hydroxy-4-(2-oxopyrrolidin-1-yl)butanoate (CID 70853085) is methyl (2S)-2-amino-3-hydroxy-4-(2-oxopyrrolidin-1-yl)butanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-hydroxy-4-(2-oxopyrrolidin-1-yl)butanoate?
The canonical SMILES for methyl (2S)-2-amino-3-hydroxy-4-(2-oxopyrrolidin-1-yl)butanoate is COC(=O)[C@@H](N)C(O)CN1CCCC1=O.
What is the InChIKey of methyl (2S)-2-amino-3-hydroxy-4-(2-oxopyrrolidin-1-yl)butanoate?
The InChIKey is GDGVVNDZNBQQMO-XDKWHASVSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-15-9(14)8(10)6(12)5-11-4-2-3-7(11)13/h6,8,12H,2-5,10H2,1H3/t6?,8-/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-hydroxy-4-(2-oxopyrrolidin-1-yl)butanoate?
methyl (2S)-2-amino-3-hydroxy-4-(2-oxopyrrolidin-1-yl)butanoate has a molecular weight of 216.24 g/mol, XLogP of -1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-hydroxy-4-(2-oxopyrrolidin-1-yl)butanoate is sourced from PubChem (CID 70853085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).