2-[[(2-cyclopropylcyclohexyl)amino]methyl]-2-ethylbutanoic acid

C16H29NO2 — CID 122128693

IUPAC2-[[(2-cyclopropylcyclohexyl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC1CCCCC1C1CC1)C(=O)O
InChIInChI=1S/C16H29NO2/c1-3-16(4-2,15(18)19)11-17-14-8-6-5-7-13(14)12-9-10-12/h12-14,17H,3-11H2,1-2H3,(H,18,19)
InChIKeyVDBYCCIPVARNCB-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.44
Rot. Bonds7

About 2-[[(2-cyclopropylcyclohexyl)amino]methyl]-2-ethylbutanoic acid

2-[[(2-cyclopropylcyclohexyl)amino]methyl]-2-ethylbutanoic acid (PubChem CID 122128693) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-[[(2-cyclopropylcyclohexyl)amino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[(2-cyclopropylcyclohexyl)amino]methyl]-2-ethylbutanoic acid
PubChem CID122128693
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-[[(2-cyclopropylcyclohexyl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC1CCCCC1C1CC1)C(=O)O
InChIInChI=1S/C16H29NO2/c1-3-16(4-2,15(18)19)11-17-14-8-6-5-7-13(14)12-9-10-12/h12-14,17H,3-11H2,1-2H3,(H,18,19)
InChIKeyVDBYCCIPVARNCB-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(4,4-Difluorocyclohexyl)ethylamino]methyl]-2-ethylbutanoic acid
CID 122128427
3-[(2,6-Dibutyl-4-methylcyclohexyl)amino]propanoic acid
CID 67952897
1-[(Cyclohexylamino)methyl]-2-ethylcyclopropane-1-carboxylic acid
CID 68682362
2-[1-(Cyclohexylamino)ethyl]-2-ethyl-3-methylbutanoic acid
CID 117736670
3-[(2,3-Dimethylcyclohexyl)amino]propanoic acid
CID 43084535
3-[[4-(2-Methylbutan-2-yl)cyclohexyl]amino]propanoic acid
CID 43087714
Methyl 3-[(2-tert-butylcyclohexyl)amino]propanoate
CID 43139772
3-[(3,3,5-Trimethylcyclohexyl)amino]propanoic acid
CID 43139865
3-[(5-Methyl-2-propan-2-ylcyclohexyl)amino]propanoic acid
CID 43139944
3-[(2-Tert-butylcyclohexyl)amino]propanoic acid
CID 43139947
3-[(4-Tert-butylcyclohexyl)amino]propanoic acid
CID 43139951
3-[(2-Methylcyclohexyl)amino]butanoic acid
CID 43536749

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-cyclopropylcyclohexyl)amino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[(2-cyclopropylcyclohexyl)amino]methyl]-2-ethylbutanoic acid (CID 122128693) is 2-[[(2-cyclopropylcyclohexyl)amino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[(2-cyclopropylcyclohexyl)amino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[(2-cyclopropylcyclohexyl)amino]methyl]-2-ethylbutanoic acid is CCC(CC)(CNC1CCCCC1C1CC1)C(=O)O.
What is the InChIKey of 2-[[(2-cyclopropylcyclohexyl)amino]methyl]-2-ethylbutanoic acid?
The InChIKey is VDBYCCIPVARNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-16(4-2,15(18)19)11-17-14-8-6-5-7-13(14)12-9-10-12/h12-14,17H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[[(2-cyclopropylcyclohexyl)amino]methyl]-2-ethylbutanoic acid?
2-[[(2-cyclopropylcyclohexyl)amino]methyl]-2-ethylbutanoic acid has a molecular weight of 267.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-cyclopropylcyclohexyl)amino]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 122128693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).