cis-(1S,3R)-3-aminocyclohexane-1-carboxylic acid

C7H13NO2 — CID 7005079

IUPACcis-(1S,3R)-3-aminocyclohexane-1-carboxylic acid
SMILESN[C@@H]1CCC[C@H](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-NTSWFWBYSA-N
MW143.19 g/mol
LogP0.59
Rot. Bonds1

About cis-(1S,3R)-3-aminocyclohexane-1-carboxylic acid

cis-(1S,3R)-3-aminocyclohexane-1-carboxylic acid (PubChem CID 7005079) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is cis-(1S,3R)-3-aminocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-aminocyclohexane-1-carboxylic acid
PubChem CID7005079
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namecis-(1S,3R)-3-aminocyclohexane-1-carboxylic acid
SMILESN[C@@H]1CCC[C@H](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-NTSWFWBYSA-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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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-aminocyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-aminocyclohexane-1-carboxylic acid (CID 7005079) is cis-(1S,3R)-3-aminocyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-aminocyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-aminocyclohexane-1-carboxylic acid is N[C@@H]1CCC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-aminocyclohexane-1-carboxylic acid?
The InChIKey is CKTUXQBZPWBFDX-NTSWFWBYSA-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 cis-(1S,3R)-3-aminocyclohexane-1-carboxylic acid?
cis-(1S,3R)-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 cis-(1S,3R)-3-aminocyclohexane-1-carboxylic acid is sourced from PubChem (CID 7005079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).