2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid

C15H21NO3 — CID 114178847

IUPAC2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid
SMILESO=C(O)C(NC1CCCCC1CO)c1ccccc1
InChIInChI=1S/C15H21NO3/c17-10-12-8-4-5-9-13(12)16-14(15(18)19)11-6-2-1-3-7-11/h1-3,6-7,12-14,16-17H,4-5,8-10H2,(H,18,19)
InChIKeyDHKULMWEGJZCGE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.95
Rot. Bonds5

About 2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid

2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid (PubChem CID 114178847) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid
PubChem CID114178847
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid
SMILESO=C(O)C(NC1CCCCC1CO)c1ccccc1
InChIInChI=1S/C15H21NO3/c17-10-12-8-4-5-9-13(12)16-14(15(18)19)11-6-2-1-3-7-11/h1-3,6-7,12-14,16-17H,4-5,8-10H2,(H,18,19)
InChIKeyDHKULMWEGJZCGE-UHFFFAOYSA-N
XLogP1.95
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic 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-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid
CID 55036450
[2-[[cyclopropyl(phenyl)methyl]amino]cyclohexyl]methanol
CID 106359819
[2-(1-phenylpropylamino)cyclohexyl]methanol
CID 113261894
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-phenylacetamide
CID 103951115
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
[2-[(1-amino-3-phenylbutan-2-yl)amino]cyclopentyl]methanol
CID 106359972
2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol
CID 113383805
2-phenyl-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetic acid
CID 62110993
N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide
CID 106367893
methyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate
CID 98077087
2-[4-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]phenyl]propanoic acid
CID 106362480
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid (CID 114178847) is 2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid is O=C(O)C(NC1CCCCC1CO)c1ccccc1.
What is the InChIKey of 2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid?
The InChIKey is DHKULMWEGJZCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-10-12-8-4-5-9-13(12)16-14(15(18)19)11-6-2-1-3-7-11/h1-3,6-7,12-14,16-17H,4-5,8-10H2,(H,18,19).
What are the key properties of 2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid?
2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid has a molecular weight of 263.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 114178847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).