1-aminocyclohexane-1-carboxylic acid

C7H13NO2 — CID 1366

IUPAC1-aminocyclohexane-1-carboxylic acid
SMILESNC1(C(=O)O)CCCCC1
InChIInChI=1S/C7H13NO2/c8-7(6(9)10)4-2-1-3-5-7/h1-5,8H2,(H,9,10)
InChIKeyWOXWUZCRWJWTRT-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.73
Rot. Bonds1

About 1-aminocyclohexane-1-carboxylic acid

1-aminocyclohexane-1-carboxylic acid (PubChem CID 1366) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-aminocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-aminocyclohexane-1-carboxylic acid
PubChem CID1366
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-aminocyclohexane-1-carboxylic acid
SMILESNC1(C(=O)O)CCCCC1
InChIInChI=1S/C7H13NO2/c8-7(6(9)10)4-2-1-3-5-7/h1-5,8H2,(H,9,10)
InChIKeyWOXWUZCRWJWTRT-UHFFFAOYSA-N
XLogP0.73
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-aminocyclohexane-1-carboxylic acid?
The IUPAC name of 1-aminocyclohexane-1-carboxylic acid (CID 1366) is 1-aminocyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-aminocyclohexane-1-carboxylic acid?
The canonical SMILES for 1-aminocyclohexane-1-carboxylic acid is NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-aminocyclohexane-1-carboxylic acid?
The InChIKey is WOXWUZCRWJWTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c8-7(6(9)10)4-2-1-3-5-7/h1-5,8H2,(H,9,10).
What are the key properties of 1-aminocyclohexane-1-carboxylic acid?
1-aminocyclohexane-1-carboxylic acid has a molecular weight of 143.19 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminocyclohexane-1-carboxylic acid is sourced from PubChem (CID 1366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).