3-amino-3-(3-chlorophenyl)propanoate

C9H9ClNO2- — CID 22608540

IUPAC3-amino-3-(3-chlorophenyl)propanoate
SMILESNC(CC(=O)[O-])c1cccc(Cl)c1
InChIInChI=1S/C9H10ClNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/p-1
InChIKeyLIDRHPCWOYOBIZ-UHFFFAOYSA-M
MW198.63 g/mol
LogP0.48
Rot. Bonds3

About 3-amino-3-(3-chlorophenyl)propanoate

3-amino-3-(3-chlorophenyl)propanoate (PubChem CID 22608540) has the molecular formula C9H9ClNO2- and a molecular weight of 198.63 g/mol. Its IUPAC name is 3-amino-3-(3-chlorophenyl)propanoate.

Molecular Properties

Compound Name3-amino-3-(3-chlorophenyl)propanoate
PubChem CID22608540
Molecular FormulaC9H9ClNO2-
Molecular Weight198.63 g/mol
Exact Mass198.03
IUPAC Name3-amino-3-(3-chlorophenyl)propanoate
SMILESNC(CC(=O)[O-])c1cccc(Cl)c1
InChIInChI=1S/C9H10ClNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/p-1
InChIKeyLIDRHPCWOYOBIZ-UHFFFAOYSA-M
XLogP0.48
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.63
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-3-(3-chlorophenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-3-(3-chlorophenyl)propanamide;hydrochloride
CID 122360252
3-(3-chlorophenyl)-3-hydroxypropanoate
CID 19770450
(3S)-3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid
CID 135366038
3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid
CID 135366041
ethyl (3S)-3-amino-3-(3-chlorophenyl)propanoate
CID 7047015
sodium 3-amino-3-(3-bromophenyl)propanoate
CID 23674479
(1S)-1-(3-chlorophenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171219115
sodium 3-amino-3-phenylpropanoate
CID 67838286
(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171199565
(2R)-2-amino-2-(3-chlorophenyl)acetamide
CID 11286873
(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride
CID 91800311
(3S)-3-(3-chlorophenyl)-3-phenylpropanamide
CID 125467279

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-chlorophenyl)propanoate?
The IUPAC name of 3-amino-3-(3-chlorophenyl)propanoate (CID 22608540) is 3-amino-3-(3-chlorophenyl)propanoate.
What is the SMILES notation for 3-amino-3-(3-chlorophenyl)propanoate?
The canonical SMILES for 3-amino-3-(3-chlorophenyl)propanoate is NC(CC(=O)[O-])c1cccc(Cl)c1.
What is the InChIKey of 3-amino-3-(3-chlorophenyl)propanoate?
The InChIKey is LIDRHPCWOYOBIZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10ClNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/p-1.
What are the key properties of 3-amino-3-(3-chlorophenyl)propanoate?
3-amino-3-(3-chlorophenyl)propanoate has a molecular weight of 198.63 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-chlorophenyl)propanoate is sourced from PubChem (CID 22608540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).