(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)butanamide

C8H15N3O2 — CID 11240870

IUPAC(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)butanamide
SMILESCC[C@@H](C(N)=O)N1CC(N)CC1=O
InChIInChI=1S/C8H15N3O2/c1-2-6(8(10)13)11-4-5(9)3-7(11)12/h5-6H,2-4,9H2,1H3,(H2,10,13)/t5?,6-/m0/s1
InChIKeyVCFMURNJKHLJBI-GDVGLLTNSA-N
MW185.23 g/mol
LogP-1.19
Rot. Bonds3

About (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)butanamide

(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)butanamide (PubChem CID 11240870) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)butanamide
PubChem CID11240870
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)butanamide
SMILESCC[C@@H](C(N)=O)N1CC(N)CC1=O
InChIInChI=1S/C8H15N3O2/c1-2-6(8(10)13)11-4-5(9)3-7(11)12/h5-6H,2-4,9H2,1H3,(H2,10,13)/t5?,6-/m0/s1
InChIKeyVCFMURNJKHLJBI-GDVGLLTNSA-N
XLogP-1.19
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)butanamide (CID 11240870) is (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)butanamide is CC[C@@H](C(N)=O)N1CC(N)CC1=O.
What is the InChIKey of (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is VCFMURNJKHLJBI-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-2-6(8(10)13)11-4-5(9)3-7(11)12/h5-6H,2-4,9H2,1H3,(H2,10,13)/t5?,6-/m0/s1.
What are the key properties of (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)butanamide?
(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 185.23 g/mol, XLogP of -1.19, 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)butanamide is sourced from PubChem (CID 11240870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).