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

C14H19NO2 — CID 43656550

IUPAC2-[cyclopropylmethyl-[(4-methylphenyl)methyl]amino]acetic acid
SMILESCc1ccc(CN(CC(=O)O)CC2CC2)cc1
InChIInChI=1S/C14H19NO2/c1-11-2-4-12(5-3-11)8-15(10-14(16)17)9-13-6-7-13/h2-5,13H,6-10H2,1H3,(H,16,17)
InChIKeyBQAHPMHUKBBQHE-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.29
Rot. Bonds6

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

2-[cyclopropylmethyl-[(4-methylphenyl)methyl]amino]acetic acid (PubChem CID 43656550) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(4-methylphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(4-methylphenyl)methyl]amino]acetic acid
PubChem CID43656550
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[cyclopropylmethyl-[(4-methylphenyl)methyl]amino]acetic acid
SMILESCc1ccc(CN(CC(=O)O)CC2CC2)cc1
InChIInChI=1S/C14H19NO2/c1-11-2-4-12(5-3-11)8-15(10-14(16)17)9-13-6-7-13/h2-5,13H,6-10H2,1H3,(H,16,17)
InChIKeyBQAHPMHUKBBQHE-UHFFFAOYSA-N
XLogP2.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[cyclopropylmethyl-[(4-methylphenyl)methyl]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-[benzyl(cyclobutylmethyl)amino]acetic acid
CID 119134931
2-[cyclopropylmethyl-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid
CID 43656513
[4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934414
2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 39361490
2-[cyclopropylmethyl-[(2,4,5-trimethylphenyl)methyl]amino]acetic acid
CID 114078379
2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 54968853
2-[cyclopropylmethyl-[(3-propoxyphenyl)methyl]amino]acetic acid
CID 65054742
2-[[4-(cyclopropylmethoxy)phenyl]methyl-propylamino]acetic acid
CID 122040142
2-[cyclopropylmethyl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid
CID 43656684
2-[(5-bromothiophen-2-yl)methyl-(cyclopropylmethyl)amino]acetic acid
CID 43656628
2-[cyclopropylmethyl-[(1,3-dimethylindol-2-yl)methyl]amino]acetic acid
CID 107236494
2-[2-[bis(carboxymethyl)amino]ethyl-[[4-[[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]phenyl]methyl]amino]acetic acid
CID 163523536

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(4-methylphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(4-methylphenyl)methyl]amino]acetic acid (CID 43656550) is 2-[cyclopropylmethyl-[(4-methylphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(4-methylphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(4-methylphenyl)methyl]amino]acetic acid is Cc1ccc(CN(CC(=O)O)CC2CC2)cc1.
What is the InChIKey of 2-[cyclopropylmethyl-[(4-methylphenyl)methyl]amino]acetic acid?
The InChIKey is BQAHPMHUKBBQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-2-4-12(5-3-11)8-15(10-14(16)17)9-13-6-7-13/h2-5,13H,6-10H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopropylmethyl-[(4-methylphenyl)methyl]amino]acetic acid?
2-[cyclopropylmethyl-[(4-methylphenyl)methyl]amino]acetic acid has a molecular weight of 233.31 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(4-methylphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 43656550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).