2-[benzyl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid

C18H25NO4 — CID 119197073

IUPAC2-[benzyl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid
SMILESCC1CCCCC1OCC(=O)N(CC(=O)O)Cc1ccccc1
InChIInChI=1S/C18H25NO4/c1-14-7-5-6-10-16(14)23-13-17(20)19(12-18(21)22)11-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13H2,1H3,(H,21,22)
InChIKeyBVHHWEVEGMUSIB-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.70
Rot. Bonds7

About 2-[benzyl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid

2-[benzyl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid (PubChem CID 119197073) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[benzyl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid
PubChem CID119197073
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name2-[benzyl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid
SMILESCC1CCCCC1OCC(=O)N(CC(=O)O)Cc1ccccc1
InChIInChI=1S/C18H25NO4/c1-14-7-5-6-10-16(14)23-13-17(20)19(12-18(21)22)11-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13H2,1H3,(H,21,22)
InChIKeyBVHHWEVEGMUSIB-UHFFFAOYSA-N
XLogP2.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid
CID 119954564
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
2-[benzyl-[2-(2-phenylethoxy)acetyl]amino]acetic acid
CID 119196933
2-[benzyl(4-ethoxybutanoyl)amino]acetic acid
CID 119196973
2-[benzyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid
CID 119197011
2-[benzyl-[2-[(2-cyclohexylacetyl)amino]acetyl]amino]acetic acid
CID 119196837
2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid
CID 61186434
N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283
2-[benzyl(4,4-dimethylpentanoyl)amino]acetic acid
CID 119196880
2-[carboxymethyl-[(2S)-2-phenylmethoxycyclopentyl]amino]acetic acid
CID 132839013
ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate
CID 103707142
2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 119196911

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid?
The IUPAC name of 2-[benzyl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid (CID 119197073) is 2-[benzyl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid.
What is the SMILES notation for 2-[benzyl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid?
The canonical SMILES for 2-[benzyl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid is CC1CCCCC1OCC(=O)N(CC(=O)O)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid?
The InChIKey is BVHHWEVEGMUSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-14-7-5-6-10-16(14)23-13-17(20)19(12-18(21)22)11-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13H2,1H3,(H,21,22).
What are the key properties of 2-[benzyl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid?
2-[benzyl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid has a molecular weight of 319.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid is sourced from PubChem (CID 119197073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).