2-[2-cyclohexyloxybutanoyl(methyl)amino]acetic acid

C13H23NO4 — CID 119346552

IUPAC2-[2-cyclohexyloxybutanoyl(methyl)amino]acetic acid
SMILESCCC(OC1CCCCC1)C(=O)N(C)CC(=O)O
InChIInChI=1S/C13H23NO4/c1-3-11(13(17)14(2)9-12(15)16)18-10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyOVOCBMBAZODIBI-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.66
Rot. Bonds6

About 2-[2-cyclohexyloxybutanoyl(methyl)amino]acetic acid

2-[2-cyclohexyloxybutanoyl(methyl)amino]acetic acid (PubChem CID 119346552) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[2-cyclohexyloxybutanoyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-cyclohexyloxybutanoyl(methyl)amino]acetic acid
PubChem CID119346552
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-[2-cyclohexyloxybutanoyl(methyl)amino]acetic acid
SMILESCCC(OC1CCCCC1)C(=O)N(C)CC(=O)O
InChIInChI=1S/C13H23NO4/c1-3-11(13(17)14(2)9-12(15)16)18-10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyOVOCBMBAZODIBI-UHFFFAOYSA-N
XLogP1.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-cyclopentyloxybutanoyl(methyl)amino]-2-methylpropanoic acid
CID 119228312
N-(2-cyanopropyl)-2-cyclopentyloxy-N-methylbutanamide
CID 71876337
N-(3-amino-2,2-dimethylpropyl)-2-cyclopentyloxy-N-methylbutanamide
CID 119653436
(2R)-2-cyclopentyloxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]butanamide
CID 95625497
2-(2-cyclohexyloxybutanoylamino)acetic acid
CID 119350338
2-[(2-cyclohexyloxyacetyl)-methylamino]acetic acid
CID 115729870
N-(1H-benzimidazol-2-ylmethyl)-2-cyclopentyloxy-N-methylbutanamide
CID 56789407
5-(2-cyclopentyloxybutanoylamino)pentanoic acid
CID 119234716
2-cyclohexyloxy-N-piperidin-1-ylbutanamide
CID 102560917
(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid
CID 99623318
(2S)-N-methyl-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]butanamide
CID 129427199
2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one
CID 86779212

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclohexyloxybutanoyl(methyl)amino]acetic acid?
The IUPAC name of 2-[2-cyclohexyloxybutanoyl(methyl)amino]acetic acid (CID 119346552) is 2-[2-cyclohexyloxybutanoyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[2-cyclohexyloxybutanoyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[2-cyclohexyloxybutanoyl(methyl)amino]acetic acid is CCC(OC1CCCCC1)C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[2-cyclohexyloxybutanoyl(methyl)amino]acetic acid?
The InChIKey is OVOCBMBAZODIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-3-11(13(17)14(2)9-12(15)16)18-10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-cyclohexyloxybutanoyl(methyl)amino]acetic acid?
2-[2-cyclohexyloxybutanoyl(methyl)amino]acetic acid has a molecular weight of 257.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclohexyloxybutanoyl(methyl)amino]acetic acid is sourced from PubChem (CID 119346552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).