(3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanoic acid

C8H14N2O3 — CID 11206225

IUPAC(3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanoic acid
SMILESN[C@@H](CC(=O)O)C(=O)N1CCCC1
InChIInChI=1S/C8H14N2O3/c9-6(5-7(11)12)8(13)10-3-1-2-4-10/h6H,1-5,9H2,(H,11,12)/t6-/m0/s1
InChIKeyMGJPXVYXTDEHEJ-LURJTMIESA-N
MW186.21 g/mol
LogP-0.59
Rot. Bonds3

About (3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanoic acid

(3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanoic acid (PubChem CID 11206225) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is (3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanoic acid
PubChem CID11206225
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanoic acid
SMILESN[C@@H](CC(=O)O)C(=O)N1CCCC1
InChIInChI=1S/C8H14N2O3/c9-6(5-7(11)12)8(13)10-3-1-2-4-10/h6H,1-5,9H2,(H,11,12)/t6-/m0/s1
InChIKeyMGJPXVYXTDEHEJ-LURJTMIESA-N
XLogP-0.59
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.59
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-ylbutanoic acid?
The IUPAC name of (3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanoic acid (CID 11206225) is (3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanoic acid.
What is the SMILES notation for (3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanoic acid?
The canonical SMILES for (3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanoic acid is N[C@@H](CC(=O)O)C(=O)N1CCCC1.
What is the InChIKey of (3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanoic acid?
The InChIKey is MGJPXVYXTDEHEJ-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O3/c9-6(5-7(11)12)8(13)10-3-1-2-4-10/h6H,1-5,9H2,(H,11,12)/t6-/m0/s1.
What are the key properties of (3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanoic acid?
(3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutanoic acid has a molecular weight of 186.21 g/mol, XLogP of -0.59, 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-ylbutanoic acid is sourced from PubChem (CID 11206225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).