2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride

C14H20ClNO2 — CID 170903356

IUPAC2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride
SMILESCCc1ccc(CN(CC(=O)O)C2CC2)cc1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-2-11-3-5-12(6-4-11)9-15(10-14(16)17)13-7-8-13;/h3-6,13H,2,7-10H2,1H3,(H,16,17);1H
InChIKeyMMLYSEOIIADUIY-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.72
Rot. Bonds6

About 2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride

2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride (PubChem CID 170903356) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride
PubChem CID170903356
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride
SMILESCCc1ccc(CN(CC(=O)O)C2CC2)cc1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-2-11-3-5-12(6-4-11)9-15(10-14(16)17)13-7-8-13;/h3-6,13H,2,7-10H2,1H3,(H,16,17);1H
InChIKeyMMLYSEOIIADUIY-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride 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-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetamide
CID 56812522
2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride
CID 132891596
2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 39361490
2-[cyclopropyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]acetic acid
CID 65057479
2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid
CID 79976968
2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]acetic acid
CID 62125880
2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid
CID 65057571
2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid
CID 54945155
2-[(4-fluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid
CID 110161354
2-[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)amino]acetic acid
CID 65058170
2-[cyclopropyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid
CID 65057866
2-[cyclopentyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39401965

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride?
The IUPAC name of 2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride (CID 170903356) is 2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride is CCc1ccc(CN(CC(=O)O)C2CC2)cc1.Cl.
What is the InChIKey of 2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride?
The InChIKey is MMLYSEOIIADUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-2-11-3-5-12(6-4-11)9-15(10-14(16)17)13-7-8-13;/h3-6,13H,2,7-10H2,1H3,(H,16,17);1H.
What are the key properties of 2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride?
2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride is sourced from PubChem (CID 170903356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).