1-amino-4-(3-ethoxyphenyl)cyclohexane-1-carboxylic acid

C15H21NO3 — CID 82303248

IUPAC1-amino-4-(3-ethoxyphenyl)cyclohexane-1-carboxylic acid
SMILESCCOc1cccc(C2CCC(N)(C(=O)O)CC2)c1
InChIInChI=1S/C15H21NO3/c1-2-19-13-5-3-4-12(10-13)11-6-8-15(16,9-7-11)14(17)18/h3-5,10-11H,2,6-9,16H2,1H3,(H,17,18)
InChIKeyLRCBYLXPRMGVJP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.53
Rot. Bonds4

About 1-amino-4-(3-ethoxyphenyl)cyclohexane-1-carboxylic acid

1-amino-4-(3-ethoxyphenyl)cyclohexane-1-carboxylic acid (PubChem CID 82303248) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-amino-4-(3-ethoxyphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-4-(3-ethoxyphenyl)cyclohexane-1-carboxylic acid
PubChem CID82303248
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-amino-4-(3-ethoxyphenyl)cyclohexane-1-carboxylic acid
SMILESCCOc1cccc(C2CCC(N)(C(=O)O)CC2)c1
InChIInChI=1S/C15H21NO3/c1-2-19-13-5-3-4-12(10-13)11-6-8-15(16,9-7-11)14(17)18/h3-5,10-11H,2,6-9,16H2,1H3,(H,17,18)
InChIKeyLRCBYLXPRMGVJP-UHFFFAOYSA-N
XLogP2.53
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 22145256
1-amino-4-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 22145272
5-(3-ethoxyphenyl)cyclohexane-1,3-dione
CID 17122310
3-(3-ethoxyphenyl)pyrrolidine
CID 62064360
3-(3-ethoxyphenyl)pyrrolidine;hydrochloride
CID 169498382
3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-one
CID 81415089
2-(3-ethoxyphenyl)oxan-3-amine
CID 79365505
2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 71758190
ethyl 3-[3-(3-aminocyclohexyl)phenoxy]propanoate
CID 143216419
3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-ol
CID 81415009
(3-cyclopropylphenyl) carbamate
CID 175067489
2-(3-cyclopropylphenoxy)ethanamine
CID 89209631

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(3-ethoxyphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-amino-4-(3-ethoxyphenyl)cyclohexane-1-carboxylic acid (CID 82303248) is 1-amino-4-(3-ethoxyphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-amino-4-(3-ethoxyphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-amino-4-(3-ethoxyphenyl)cyclohexane-1-carboxylic acid is CCOc1cccc(C2CCC(N)(C(=O)O)CC2)c1.
What is the InChIKey of 1-amino-4-(3-ethoxyphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is LRCBYLXPRMGVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-19-13-5-3-4-12(10-13)11-6-8-15(16,9-7-11)14(17)18/h3-5,10-11H,2,6-9,16H2,1H3,(H,17,18).
What are the key properties of 1-amino-4-(3-ethoxyphenyl)cyclohexane-1-carboxylic acid?
1-amino-4-(3-ethoxyphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(3-ethoxyphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82303248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).