1-[(2-amino-5-methoxyanilino)methyl]cyclohexane-1-carboxylic acid

C15H22N2O3 — CID 88995988

IUPAC1-[(2-amino-5-methoxyanilino)methyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(N)c(NCC2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C15H22N2O3/c1-20-11-5-6-12(16)13(9-11)17-10-15(14(18)19)7-3-2-4-8-15/h5-6,9,17H,2-4,7-8,10,16H2,1H3,(H,18,19)
InChIKeyYUBBIAOIXTUWDW-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.72
Rot. Bonds5

About 1-[(2-amino-5-methoxyanilino)methyl]cyclohexane-1-carboxylic acid

1-[(2-amino-5-methoxyanilino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 88995988) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(2-amino-5-methoxyanilino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-amino-5-methoxyanilino)methyl]cyclohexane-1-carboxylic acid
PubChem CID88995988
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[(2-amino-5-methoxyanilino)methyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(N)c(NCC2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C15H22N2O3/c1-20-11-5-6-12(16)13(9-11)17-10-15(14(18)19)7-3-2-4-8-15/h5-6,9,17H,2-4,7-8,10,16H2,1H3,(H,18,19)
InChIKeyYUBBIAOIXTUWDW-UHFFFAOYSA-N
XLogP2.72
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[(2-amino-5-methoxyanilino)methyl]cyclohexane-1-carboxylic 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

[1-[(2-amino-5-methoxyanilino)methyl]cyclohexyl]methanol
CID 103965437
[(3S)-3-[(2-amino-5-methoxyanilino)methyl]pyrrolidin-3-yl]-cyclopropylmethanone
CID 123654697
1-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450797
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 22660130
1-[[(2-chloro-5-methoxyphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451488
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-4-methoxybenzoic acid
CID 103968378
1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80611133
2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone
CID 113405856
1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433087
1-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544351
2-(2-amino-5-methoxyanilino)ethylurea
CID 83116899
2-(2-amino-5-methoxyanilino)ethyl carbamate
CID 83202729

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-methoxyanilino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-amino-5-methoxyanilino)methyl]cyclohexane-1-carboxylic acid (CID 88995988) is 1-[(2-amino-5-methoxyanilino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-amino-5-methoxyanilino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-amino-5-methoxyanilino)methyl]cyclohexane-1-carboxylic acid is COc1ccc(N)c(NCC2(C(=O)O)CCCCC2)c1.
What is the InChIKey of 1-[(2-amino-5-methoxyanilino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is YUBBIAOIXTUWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-11-5-6-12(16)13(9-11)17-10-15(14(18)19)7-3-2-4-8-15/h5-6,9,17H,2-4,7-8,10,16H2,1H3,(H,18,19).
What are the key properties of 1-[(2-amino-5-methoxyanilino)methyl]cyclohexane-1-carboxylic acid?
1-[(2-amino-5-methoxyanilino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-methoxyanilino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 88995988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).