2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid

C13H18ClNO3 — CID 60838792

IUPAC2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CCOc1cccc(Cl)c1)CC(=O)O
InChIInChI=1S/C13H18ClNO3/c1-10(2)15(9-13(16)17)6-7-18-12-5-3-4-11(14)8-12/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyOBSJLDJJBGLNMS-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.51
Rot. Bonds7

About 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid

2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid (PubChem CID 60838792) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid
PubChem CID60838792
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CCOc1cccc(Cl)c1)CC(=O)O
InChIInChI=1S/C13H18ClNO3/c1-10(2)15(9-13(16)17)6-7-18-12-5-3-4-11(14)8-12/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyOBSJLDJJBGLNMS-UHFFFAOYSA-N
XLogP2.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid 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

ethyl 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetate
CID 62027570
(2S)-2-[2-(3-chlorophenoxy)ethoxy]propanoic acid
CID 104876454
methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62954669
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 55110390
CID 131885829
CID 131885829
4-[3-(3-chlorophenoxy)propyl-methylamino]butanoic acid
CID 119134826
5-[2-(3-chlorophenoxy)ethyl-methylamino]-5-oxopentanoic acid
CID 60954113
2-[2-(2-methylphenoxy)ethyl-propan-2-ylamino]acetic acid
CID 60838634
2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573280
5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 82011724
(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 61165412
4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid
CID 55027827

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid (CID 60838792) is 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid is CC(C)N(CCOc1cccc(Cl)c1)CC(=O)O.
What is the InChIKey of 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid?
The InChIKey is OBSJLDJJBGLNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-10(2)15(9-13(16)17)6-7-18-12-5-3-4-11(14)8-12/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid?
2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid has a molecular weight of 271.74 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60838792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).