(3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylate

C9H14NO4- — CID 7141962

IUPAC(3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylate
SMILESCC[C@@H](CO)N1C[C@H](C(=O)[O-])CC1=O
InChIInChI=1S/C9H15NO4/c1-2-7(5-11)10-4-6(9(13)14)3-8(10)12/h6-7,11H,2-5H2,1H3,(H,13,14)/p-1/t6-,7+/m1/s1
InChIKeyCNZJKAKDIDWOLF-RQJHMYQMSA-M
MW200.21 g/mol
LogP-1.64
Rot. Bonds4

About (3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylate

(3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylate (PubChem CID 7141962) has the molecular formula C9H14NO4- and a molecular weight of 200.21 g/mol. Its IUPAC name is (3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylate
PubChem CID7141962
Molecular FormulaC9H14NO4-
Molecular Weight200.21 g/mol
Exact Mass200.09
IUPAC Name(3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylate
SMILESCC[C@@H](CO)N1C[C@H](C(=O)[O-])CC1=O
InChIInChI=1S/C9H15NO4/c1-2-7(5-11)10-4-6(9(13)14)3-8(10)12/h6-7,11H,2-5H2,1H3,(H,13,14)/p-1/t6-,7+/m1/s1
InChIKeyCNZJKAKDIDWOLF-RQJHMYQMSA-M
XLogP-1.64
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 5-1.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylate 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 (3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylate (CID 7141962) is (3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylate is CC[C@@H](CO)N1C[C@H](C(=O)[O-])CC1=O.
What is the InChIKey of (3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is CNZJKAKDIDWOLF-RQJHMYQMSA-M. The full InChI is InChI=1S/C9H15NO4/c1-2-7(5-11)10-4-6(9(13)14)3-8(10)12/h6-7,11H,2-5H2,1H3,(H,13,14)/p-1/t6-,7+/m1/s1.
What are the key properties of (3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylate?
(3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 200.21 g/mol, XLogP of -1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 7141962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).