(3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanamide

C8H15N3O2 — CID 11229192

IUPAC(3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESNC(=O)C[C@H](N)C(=O)N1CCCC1
InChIInChI=1S/C8H15N3O2/c9-6(5-7(10)12)8(13)11-3-1-2-4-11/h6H,1-5,9H2,(H2,10,12)/t6-/m0/s1
InChIKeyXDMLBIFZGCJMEA-LURJTMIESA-N
MW185.23 g/mol
LogP-1.19
Rot. Bonds3

About (3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanamide

(3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanamide (PubChem CID 11229192) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is (3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound Name(3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanamide
PubChem CID11229192
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name(3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESNC(=O)C[C@H](N)C(=O)N1CCCC1
InChIInChI=1S/C8H15N3O2/c9-6(5-7(10)12)8(13)11-3-1-2-4-11/h6H,1-5,9H2,(H2,10,12)/t6-/m0/s1
InChIKeyXDMLBIFZGCJMEA-LURJTMIESA-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 (3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of (3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanamide (CID 11229192) is (3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for (3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for (3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanamide is NC(=O)C[C@H](N)C(=O)N1CCCC1.
What is the InChIKey of (3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanamide?
The InChIKey is XDMLBIFZGCJMEA-LURJTMIESA-N. The full InChI is InChI=1S/C8H15N3O2/c9-6(5-7(10)12)8(13)11-3-1-2-4-11/h6H,1-5,9H2,(H2,10,12)/t6-/m0/s1.
What are the key properties of (3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanamide?
(3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanamide 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 (3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 11229192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).