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

C9H15NO4 — CID 7141963

IUPAC(3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
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)/t6-,7+/m1/s1
InChIKeyCNZJKAKDIDWOLF-RQJHMYQMSA-N
MW201.22 g/mol
LogP-0.31
Rot. Bonds4

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

(3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 7141963) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is (3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID7141963
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
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)/t6-,7+/m1/s1
InChIKeyCNZJKAKDIDWOLF-RQJHMYQMSA-N
XLogP-0.31
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid (CID 7141963) is (3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid 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-carboxylic acid?
The InChIKey is CNZJKAKDIDWOLF-RQJHMYQMSA-N. 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)/t6-,7+/m1/s1.
What are the key properties of (3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid?
(3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 7141963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).