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

C14H19NO3 — CID 22145256

IUPAC1-amino-4-(3-methoxyphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1cccc(C2CCC(N)(C(=O)O)CC2)c1
InChIInChI=1S/C14H19NO3/c1-18-12-4-2-3-11(9-12)10-5-7-14(15,8-6-10)13(16)17/h2-4,9-10H,5-8,15H2,1H3,(H,16,17)
InChIKeyXHBDUHFCJSMXIU-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.13
Rot. Bonds3

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

1-amino-4-(3-methoxyphenyl)cyclohexane-1-carboxylic acid (PubChem CID 22145256) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-amino-4-(3-methoxyphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-4-(3-methoxyphenyl)cyclohexane-1-carboxylic acid
PubChem CID22145256
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-amino-4-(3-methoxyphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1cccc(C2CCC(N)(C(=O)O)CC2)c1
InChIInChI=1S/C14H19NO3/c1-18-12-4-2-3-11(9-12)10-5-7-14(15,8-6-10)13(16)17/h2-4,9-10H,5-8,15H2,1H3,(H,16,17)
InChIKeyXHBDUHFCJSMXIU-UHFFFAOYSA-N
XLogP2.13
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(3-ethoxyphenyl)cyclohexane-1-carboxylic acid
CID 82303248
1-amino-4-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 22145272
1-cyclopropyl-3-methoxybenzene;methanol
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1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
[4-(3-methoxyphenyl)cyclohexyl]carbamic acid
CID 69226808
2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid
CID 18184335
2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 110479220
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
(1-aminocyclopropyl)-(3-methoxyphenyl)methanone
CID 116576589
4-(3-methoxyphenyl)cyclohexene-1-carboxylic acid
CID 82289572
1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 110460440

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(3-methoxyphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-amino-4-(3-methoxyphenyl)cyclohexane-1-carboxylic acid (CID 22145256) is 1-amino-4-(3-methoxyphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-amino-4-(3-methoxyphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-amino-4-(3-methoxyphenyl)cyclohexane-1-carboxylic acid is COc1cccc(C2CCC(N)(C(=O)O)CC2)c1.
What is the InChIKey of 1-amino-4-(3-methoxyphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is XHBDUHFCJSMXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-12-4-2-3-11(9-12)10-5-7-14(15,8-6-10)13(16)17/h2-4,9-10H,5-8,15H2,1H3,(H,16,17).
What are the key properties of 1-amino-4-(3-methoxyphenyl)cyclohexane-1-carboxylic acid?
1-amino-4-(3-methoxyphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(3-methoxyphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 22145256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).