2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid

C16H23NO2 — CID 39361490

IUPAC2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid
SMILESCc1ccc(CN(CC(=O)O)C2CCCCC2)cc1
InChIInChI=1S/C16H23NO2/c1-13-7-9-14(10-8-13)11-17(12-16(18)19)15-5-3-2-4-6-15/h7-10,15H,2-6,11-12H2,1H3,(H,18,19)
InChIKeyYWVFBFKQWHYCBV-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.21
Rot. Bonds5

About 2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid

2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid (PubChem CID 39361490) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid
PubChem CID39361490
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid
SMILESCc1ccc(CN(CC(=O)O)C2CCCCC2)cc1
InChIInChI=1S/C16H23NO2/c1-13-7-9-14(10-8-13)11-17(12-16(18)19)15-5-3-2-4-6-15/h7-10,15H,2-6,11-12H2,1H3,(H,18,19)
InChIKeyYWVFBFKQWHYCBV-UHFFFAOYSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid
CID 79976968
2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride
CID 170903356
2-[cyclopentyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39401965
2-(N-cyclobutyl-4-methylanilino)acetic acid
CID 65059457
ethyl 2-[benzyl(cycloheptyl)amino]acetate
CID 82925724
2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid
CID 46993000
2-[cyclopropylmethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 43656550
2-[(4-chloro-3-fluorophenyl)methyl-cyclopentylamino]acetic acid
CID 65058356
2-[cyclopentyl-[(2,3-dimethylphenyl)methyl]amino]acetic acid
CID 65058304
2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride
CID 132891596
ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine
CID 143603209
3-[benzyl(cyclohexyl)amino]propanoic acid
CID 82327522

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid (CID 39361490) is 2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid is Cc1ccc(CN(CC(=O)O)C2CCCCC2)cc1.
What is the InChIKey of 2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid?
The InChIKey is YWVFBFKQWHYCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13-7-9-14(10-8-13)11-17(12-16(18)19)15-5-3-2-4-6-15/h7-10,15H,2-6,11-12H2,1H3,(H,18,19).
What are the key properties of 2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid?
2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid has a molecular weight of 261.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 39361490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).