(3S)-3-aminocyclohexane-1-carboxylic acid

C7H13NO2 — CID 67383005

IUPAC(3S)-3-aminocyclohexane-1-carboxylic acid
SMILESN[C@H]1CCCC(C(=O)O)C1
InChIInChI=1S/C7H13NO2/c8-6-3-1-2-5(4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5?,6-/m0/s1
InChIKeyCKTUXQBZPWBFDX-GDVGLLTNSA-N
MW143.19 g/mol
LogP0.59
Rot. Bonds1

About (3S)-3-aminocyclohexane-1-carboxylic acid

(3S)-3-aminocyclohexane-1-carboxylic acid (PubChem CID 67383005) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (3S)-3-aminocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-aminocyclohexane-1-carboxylic acid
PubChem CID67383005
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(3S)-3-aminocyclohexane-1-carboxylic acid
SMILESN[C@H]1CCCC(C(=O)O)C1
InChIInChI=1S/C7H13NO2/c8-6-3-1-2-5(4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5?,6-/m0/s1
InChIKeyCKTUXQBZPWBFDX-GDVGLLTNSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-aminocyclododecane-1-carboxylic acid
CID 71162813
trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid
CID 656716
1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid
CID 63046092
carbonic acid;cyclohexane-1,3-diamine
CID 67563163
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
1-[(1S,3S)-3-aminocyclohexyl]ethanone
CID 98010319
(3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid
CID 172529377
trans-(1R,3R)-3-(aminomethyl)cyclohexane-1-carboxylic acid
CID 18632959
1-(3-aminocyclohexanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721453
1-[(1R,3S)-3-aminocyclohexyl]prop-2-en-1-one
CID 178190936
1-[(1S,3S)-3-aminocyclohexyl]prop-2-en-1-one
CID 178194048
1-(3-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 55148085

Frequently Asked Questions

What is the IUPAC name of (3S)-3-aminocyclohexane-1-carboxylic acid?
The IUPAC name of (3S)-3-aminocyclohexane-1-carboxylic acid (CID 67383005) is (3S)-3-aminocyclohexane-1-carboxylic acid.
What is the SMILES notation for (3S)-3-aminocyclohexane-1-carboxylic acid?
The canonical SMILES for (3S)-3-aminocyclohexane-1-carboxylic acid is N[C@H]1CCCC(C(=O)O)C1.
What is the InChIKey of (3S)-3-aminocyclohexane-1-carboxylic acid?
The InChIKey is CKTUXQBZPWBFDX-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H13NO2/c8-6-3-1-2-5(4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5?,6-/m0/s1.
What are the key properties of (3S)-3-aminocyclohexane-1-carboxylic acid?
(3S)-3-aminocyclohexane-1-carboxylic acid has a molecular weight of 143.19 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-aminocyclohexane-1-carboxylic acid is sourced from PubChem (CID 67383005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).