2-[2-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid

C14H18ClNO2 — CID 100637475

IUPAC2-[2-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccc(Cl)cc1)CC1CC1
InChIInChI=1S/C14H18ClNO2/c15-13-5-3-11(4-6-13)7-8-16(10-14(17)18)9-12-1-2-12/h3-6,12H,1-2,7-10H2,(H,17,18)
InChIKeyVZOPJFXYGJYHHJ-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.68
Rot. Bonds7

About 2-[2-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid

2-[2-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid (PubChem CID 100637475) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid
PubChem CID100637475
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-[2-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccc(Cl)cc1)CC1CC1
InChIInChI=1S/C14H18ClNO2/c15-13-5-3-11(4-6-13)7-8-16(10-14(17)18)9-12-1-2-12/h3-6,12H,1-2,7-10H2,(H,17,18)
InChIKeyVZOPJFXYGJYHHJ-UHFFFAOYSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]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

2-{[(4-Chlorophenyl)methyl]amino}acetic acid hydrochloride
CID 24186629
2-[2-[(2-Chlorophenyl)methyl]pyrrolidin-1-yl]acetic acid
CID 75371969
2-(((2-Chlorophenyl)methyl)(ethyl)amino)acetic acid hydrochloride
CID 102555145
N-[2-(2-chlorophenyl)ethyl]glycine
CID 13236090
N-[2-(4-chlorophenyl)ethyl]glycine
CID 57148080
N-[2-(3-chlorophenyl)ethyl]glycine
CID 82126888
(4-Chloro-benzylamino)-acetic acid
CID 413853
[(2-Chloro-benzyl)-ethyl-amino]-acetic acid
CID 39247201
[(2-Chloro-6-fluoro-benzyl)-cyclopropyl-amino]-acetic acid
CID 39359382
2-[(2-Chloro-6-fluorophenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 39372909
2-[(2-Chloro-4-fluorophenyl)methyl-(cyclopropylmethyl)amino]acetic acid
CID 43656621
2-[(2-Chloro-6-fluorophenyl)methyl-(cyclopropylmethyl)amino]acetic acid
CID 43656903

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid (CID 100637475) is 2-[2-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CCc1ccc(Cl)cc1)CC1CC1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is VZOPJFXYGJYHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-13-5-3-11(4-6-13)7-8-16(10-14(17)18)9-12-1-2-12/h3-6,12H,1-2,7-10H2,(H,17,18).
What are the key properties of 2-[2-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid?
2-[2-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 267.76 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 100637475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).