2-[cyclopropylmethyl-[3-[[2-(2-methylphenyl)phenyl]methylamino]cyclobutyl]amino]acetic acid

C24H30N2O2 — CID 122041364

IUPAC2-[cyclopropylmethyl-[3-[[2-(2-methylphenyl)phenyl]methylamino]cyclobutyl]amino]acetic acid
SMILESCc1ccccc1-c1ccccc1CNC1CC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C24H30N2O2/c1-17-6-2-4-8-22(17)23-9-5-3-7-19(23)14-25-20-12-21(13-20)26(16-24(27)28)15-18-10-11-18/h2-9,18,20-21,25H,10-16H2,1H3,(H,27,28)
InChIKeyWPBYZNFCUZYYIF-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.08
Rot. Bonds9

About 2-[cyclopropylmethyl-[3-[[2-(2-methylphenyl)phenyl]methylamino]cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-[[2-(2-methylphenyl)phenyl]methylamino]cyclobutyl]amino]acetic acid (PubChem CID 122041364) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[[2-(2-methylphenyl)phenyl]methylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[[2-(2-methylphenyl)phenyl]methylamino]cyclobutyl]amino]acetic acid
PubChem CID122041364
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name2-[cyclopropylmethyl-[3-[[2-(2-methylphenyl)phenyl]methylamino]cyclobutyl]amino]acetic acid
SMILESCc1ccccc1-c1ccccc1CNC1CC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C24H30N2O2/c1-17-6-2-4-8-22(17)23-9-5-3-7-19(23)14-25-20-12-21(13-20)26(16-24(27)28)15-18-10-11-18/h2-9,18,20-21,25H,10-16H2,1H3,(H,27,28)
InChIKeyWPBYZNFCUZYYIF-UHFFFAOYSA-N
XLogP4.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropylmethyl-[3-[[2-(2-methylphenyl)phenyl]methylamino]cyclobutyl]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-[cyclopropylmethyl-[3-[(2,3-dimethylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122041681
2-[cyclopropylmethyl-[3-[(2-methoxy-5-methylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122041512
2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041638
2-[cyclopropylmethyl-[3-[(4-methylsulfanylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122041592
2-[cyclopropylmethyl-[3-(thiophen-3-ylmethylamino)cyclobutyl]amino]acetic acid
CID 122041559
2-[cyclopropylmethyl-[3-[(3-methylquinoxalin-2-yl)amino]cyclobutyl]amino]acetic acid
CID 122061370
2-[cyclopropylmethyl-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122041267
2-[cyclopropylmethyl-[3-[(6-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122041774
2-[ethyl-[3-[(4-phenylcyclohexyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042345
2-[ethyl-[3-[(2-propan-2-yloxyphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042512
2-[cyclopropylmethyl-[3-[2-(3-methylphenyl)ethylamino]cyclobutyl]amino]acetic acid
CID 122041350
2-[cyclopropylmethyl-[3-[[5-(2-nitrophenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid
CID 122041318

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[[2-(2-methylphenyl)phenyl]methylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[[2-(2-methylphenyl)phenyl]methylamino]cyclobutyl]amino]acetic acid (CID 122041364) is 2-[cyclopropylmethyl-[3-[[2-(2-methylphenyl)phenyl]methylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[[2-(2-methylphenyl)phenyl]methylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[[2-(2-methylphenyl)phenyl]methylamino]cyclobutyl]amino]acetic acid is Cc1ccccc1-c1ccccc1CNC1CC(N(CC(=O)O)CC2CC2)C1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[[2-(2-methylphenyl)phenyl]methylamino]cyclobutyl]amino]acetic acid?
The InChIKey is WPBYZNFCUZYYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-17-6-2-4-8-22(17)23-9-5-3-7-19(23)14-25-20-12-21(13-20)26(16-24(27)28)15-18-10-11-18/h2-9,18,20-21,25H,10-16H2,1H3,(H,27,28).
What are the key properties of 2-[cyclopropylmethyl-[3-[[2-(2-methylphenyl)phenyl]methylamino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[[2-(2-methylphenyl)phenyl]methylamino]cyclobutyl]amino]acetic acid has a molecular weight of 378.52 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[[2-(2-methylphenyl)phenyl]methylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122041364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).