2-[2-(4-cyclohexylbutan-2-ylamino)-2-oxoethoxy]acetic acid

C14H25NO4 — CID 20558858

IUPAC2-[2-(4-cyclohexylbutan-2-ylamino)-2-oxoethoxy]acetic acid
SMILESCC(CCC1CCCCC1)NC(=O)COCC(=O)O
InChIInChI=1S/C14H25NO4/c1-11(7-8-12-5-3-2-4-6-12)15-13(16)9-19-10-14(17)18/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyKARKHJWPIZRLRG-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.95
Rot. Bonds8

About 2-[2-(4-cyclohexylbutan-2-ylamino)-2-oxoethoxy]acetic acid

2-[2-(4-cyclohexylbutan-2-ylamino)-2-oxoethoxy]acetic acid (PubChem CID 20558858) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[2-(4-cyclohexylbutan-2-ylamino)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(4-cyclohexylbutan-2-ylamino)-2-oxoethoxy]acetic acid
PubChem CID20558858
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-[2-(4-cyclohexylbutan-2-ylamino)-2-oxoethoxy]acetic acid
SMILESCC(CCC1CCCCC1)NC(=O)COCC(=O)O
InChIInChI=1S/C14H25NO4/c1-11(7-8-12-5-3-2-4-6-12)15-13(16)9-19-10-14(17)18/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyKARKHJWPIZRLRG-UHFFFAOYSA-N
XLogP1.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-cyclohexylbutan-2-ylamino)-2-oxoethoxy]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

4-amino-N-(4-cyclohexylbutan-2-yl)pentanamide
CID 120562906
(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid
CID 93262756
3-[4-cyclohexylbutan-2-ylcarbamoyl(methyl)amino]propanoic acid
CID 122002482
3-cyclohexyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418810
(2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide
CID 119327911
2-(4-cyclohexylbutan-2-ylamino)-N-methylacetamide
CID 115706807
4-cyclopentyl-N-methylbutan-2-amine
CID 61343208
3-(3-cyclobutylpropanoylamino)butanoic acid
CID 119347962
N-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119791225
2-[2-(cyclopentyloxyamino)-2-oxoethoxy]acetic acid
CID 83228998
N-(4-cyclopentylbutan-2-yl)but-2-ynamide
CID 122159956
1-amino-N-(4-cyclohexylbutan-2-yl)cyclopentane-1-carboxamide
CID 119327905

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyclohexylbutan-2-ylamino)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(4-cyclohexylbutan-2-ylamino)-2-oxoethoxy]acetic acid (CID 20558858) is 2-[2-(4-cyclohexylbutan-2-ylamino)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(4-cyclohexylbutan-2-ylamino)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(4-cyclohexylbutan-2-ylamino)-2-oxoethoxy]acetic acid is CC(CCC1CCCCC1)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-(4-cyclohexylbutan-2-ylamino)-2-oxoethoxy]acetic acid?
The InChIKey is KARKHJWPIZRLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-11(7-8-12-5-3-2-4-6-12)15-13(16)9-19-10-14(17)18/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-(4-cyclohexylbutan-2-ylamino)-2-oxoethoxy]acetic acid?
2-[2-(4-cyclohexylbutan-2-ylamino)-2-oxoethoxy]acetic acid has a molecular weight of 271.36 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyclohexylbutan-2-ylamino)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 20558858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).