2-cyclohexyl-2-[(4-methoxypyrimidin-2-yl)amino]acetic acid

C13H19N3O3 — CID 54901729

IUPAC2-cyclohexyl-2-[(4-methoxypyrimidin-2-yl)amino]acetic acid
SMILESCOc1ccnc(NC(C(=O)O)C2CCCCC2)n1
InChIInChI=1S/C13H19N3O3/c1-19-10-7-8-14-13(15-10)16-11(12(17)18)9-5-3-2-4-6-9/h7-9,11H,2-6H2,1H3,(H,17,18)(H,14,15,16)
InChIKeySOTVTJKEIVZWNL-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.93
Rot. Bonds5

About 2-cyclohexyl-2-[(4-methoxypyrimidin-2-yl)amino]acetic acid

2-cyclohexyl-2-[(4-methoxypyrimidin-2-yl)amino]acetic acid (PubChem CID 54901729) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(4-methoxypyrimidin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(4-methoxypyrimidin-2-yl)amino]acetic acid
PubChem CID54901729
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-cyclohexyl-2-[(4-methoxypyrimidin-2-yl)amino]acetic acid
SMILESCOc1ccnc(NC(C(=O)O)C2CCCCC2)n1
InChIInChI=1S/C13H19N3O3/c1-19-10-7-8-14-13(15-10)16-11(12(17)18)9-5-3-2-4-6-9/h7-9,11H,2-6H2,1H3,(H,17,18)(H,14,15,16)
InChIKeySOTVTJKEIVZWNL-UHFFFAOYSA-N
XLogP1.93
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclohexyl-2-[(4-methoxypyrimidin-2-yl)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

(3S)-3-cyclohexyl-3-[(4-methoxypyrimidin-2-yl)amino]propanamide
CID 97327723
(2S)-2-[(6-methoxypyrimidin-4-yl)amino]-5,5-dimethylhexanoic acid
CID 172210171
(2S)-2-[(4-methoxypyrimidin-2-yl)amino]-5,5-dimethylhexanoic acid
CID 172210193
1-(4-Methoxypyrimidin-2-yl)piperidine-2-carboxylic acid
CID 43378914
1-(4-Methoxypyrimidin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 43378920
6-[(4-Methoxypyrimidin-2-yl)amino]hexanoic acid
CID 43378923
7-[(4-Methoxypyrimidin-2-yl)amino]heptanoic acid
CID 43378929
2-[(4-Methoxypyrimidin-2-yl)amino]propanoic acid
CID 43468831
2-[(4-Methoxypyrimidin-2-yl)amino]butanoic acid
CID 43470191
2-[(4-Methoxypyrimidin-2-yl)amino]hexanoic acid
CID 43470263
2-[(4-Methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid
CID 43619335
2-[(4-Methoxypyrimidin-2-yl)amino]pentanoic acid
CID 43631355

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(4-methoxypyrimidin-2-yl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(4-methoxypyrimidin-2-yl)amino]acetic acid (CID 54901729) is 2-cyclohexyl-2-[(4-methoxypyrimidin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(4-methoxypyrimidin-2-yl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(4-methoxypyrimidin-2-yl)amino]acetic acid is COc1ccnc(NC(C(=O)O)C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-2-[(4-methoxypyrimidin-2-yl)amino]acetic acid?
The InChIKey is SOTVTJKEIVZWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-19-10-7-8-14-13(15-10)16-11(12(17)18)9-5-3-2-4-6-9/h7-9,11H,2-6H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-cyclohexyl-2-[(4-methoxypyrimidin-2-yl)amino]acetic acid?
2-cyclohexyl-2-[(4-methoxypyrimidin-2-yl)amino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(4-methoxypyrimidin-2-yl)amino]acetic acid is sourced from PubChem (CID 54901729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).