(3S)-5-amino-3-(4-chlorophenyl)pentanoic acid

C11H14ClNO2 — CID 10082474

IUPAC(3S)-5-amino-3-(4-chlorophenyl)pentanoic acid
SMILESNCCC(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c12-10-3-1-8(2-4-10)9(5-6-13)7-11(14)15/h1-4,9H,5-7,13H2,(H,14,15)
InChIKeyQXAGSDSDBMVSQR-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.25
Rot. Bonds5

About (3S)-5-amino-3-(4-chlorophenyl)pentanoic acid

(3S)-5-amino-3-(4-chlorophenyl)pentanoic acid (PubChem CID 10082474) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (3S)-5-amino-3-(4-chlorophenyl)pentanoic acid.

Molecular Properties

Compound Name(3S)-5-amino-3-(4-chlorophenyl)pentanoic acid
PubChem CID10082474
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(3S)-5-amino-3-(4-chlorophenyl)pentanoic acid
SMILESNCCC(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c12-10-3-1-8(2-4-10)9(5-6-13)7-11(14)15/h1-4,9H,5-7,13H2,(H,14,15)
InChIKeyQXAGSDSDBMVSQR-UHFFFAOYSA-N
XLogP2.25
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-amino-3-(4-chlorophenyl)pentanoic acid?
The IUPAC name of (3S)-5-amino-3-(4-chlorophenyl)pentanoic acid (CID 10082474) is (3S)-5-amino-3-(4-chlorophenyl)pentanoic acid.
What is the SMILES notation for (3S)-5-amino-3-(4-chlorophenyl)pentanoic acid?
The canonical SMILES for (3S)-5-amino-3-(4-chlorophenyl)pentanoic acid is NCCC(CC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of (3S)-5-amino-3-(4-chlorophenyl)pentanoic acid?
The InChIKey is QXAGSDSDBMVSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-10-3-1-8(2-4-10)9(5-6-13)7-11(14)15/h1-4,9H,5-7,13H2,(H,14,15).
What are the key properties of (3S)-5-amino-3-(4-chlorophenyl)pentanoic acid?
(3S)-5-amino-3-(4-chlorophenyl)pentanoic acid has a molecular weight of 227.69 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-amino-3-(4-chlorophenyl)pentanoic acid is sourced from PubChem (CID 10082474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).