3-[(4-ethylcyclohexyl)methylamino]-2,2-dimethylpropanoic acid

C14H27NO2 — CID 79623531

IUPAC3-[(4-ethylcyclohexyl)methylamino]-2,2-dimethylpropanoic acid
SMILESCCC1CCC(CNCC(C)(C)C(=O)O)CC1
InChIInChI=1S/C14H27NO2/c1-4-11-5-7-12(8-6-11)9-15-10-14(2,3)13(16)17/h11-12,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyMZLMKZJNIMZFCG-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.90
Rot. Bonds6

About 3-[(4-ethylcyclohexyl)methylamino]-2,2-dimethylpropanoic acid

3-[(4-ethylcyclohexyl)methylamino]-2,2-dimethylpropanoic acid (PubChem CID 79623531) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-[(4-ethylcyclohexyl)methylamino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(4-ethylcyclohexyl)methylamino]-2,2-dimethylpropanoic acid
PubChem CID79623531
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-[(4-ethylcyclohexyl)methylamino]-2,2-dimethylpropanoic acid
SMILESCCC1CCC(CNCC(C)(C)C(=O)O)CC1
InChIInChI=1S/C14H27NO2/c1-4-11-5-7-12(8-6-11)9-15-10-14(2,3)13(16)17/h11-12,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyMZLMKZJNIMZFCG-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(cyclopropylmethyl)-2-methylpropane-1,2-diamine
CID 61264893
2-[[(4-ethylcyclohexyl)methylamino]methyl]-2-methylbutan-1-ol
CID 81419618
2-(4-ethylcyclohexyl)-2-methylpropanoic acid
CID 79425343
ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate
CID 55025429
3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid
CID 122040928
2-ethyl-2-[[(4-methylcyclohexyl)methylamino]methyl]butanoic acid
CID 122128807
acetic acid;ethylcyclopropane
CID 175213909
3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid
CID 79629719
2-[(4-ethylcyclohexyl)methylcarbamoyl]-3,3-dimethylbutanoic acid
CID 116537018
3-[(2-ethoxy-2-methylpropyl)amino]-2,2-dimethylpropanoic acid
CID 114941755
ethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate
CID 54880898
3-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428663

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylcyclohexyl)methylamino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(4-ethylcyclohexyl)methylamino]-2,2-dimethylpropanoic acid (CID 79623531) is 3-[(4-ethylcyclohexyl)methylamino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(4-ethylcyclohexyl)methylamino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(4-ethylcyclohexyl)methylamino]-2,2-dimethylpropanoic acid is CCC1CCC(CNCC(C)(C)C(=O)O)CC1.
What is the InChIKey of 3-[(4-ethylcyclohexyl)methylamino]-2,2-dimethylpropanoic acid?
The InChIKey is MZLMKZJNIMZFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-11-5-7-12(8-6-11)9-15-10-14(2,3)13(16)17/h11-12,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 3-[(4-ethylcyclohexyl)methylamino]-2,2-dimethylpropanoic acid?
3-[(4-ethylcyclohexyl)methylamino]-2,2-dimethylpropanoic acid has a molecular weight of 241.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylcyclohexyl)methylamino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79623531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).