trans-(1S,2S)-2-aminocyclohexane-1-carboxylic acid

C7H13NO2 — CID 7128323

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

About trans-(1S,2S)-2-aminocyclohexane-1-carboxylic acid

trans-(1S,2S)-2-aminocyclohexane-1-carboxylic acid (PubChem CID 7128323) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is trans-(1S,2S)-2-aminocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-aminocyclohexane-1-carboxylic acid
PubChem CID7128323
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nametrans-(1S,2S)-2-aminocyclohexane-1-carboxylic acid
SMILESN[C@H]1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6-/m0/s1
InChIKeyUSQHEVWOPJDAAX-WDSKDSINSA-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 trans-(1S,2S)-2-aminocyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-aminocyclohexane-1-carboxylic acid (CID 7128323) is trans-(1S,2S)-2-aminocyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-aminocyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-aminocyclohexane-1-carboxylic acid is N[C@H]1CCCC[C@@H]1C(=O)O.
What is the InChIKey of trans-(1S,2S)-2-aminocyclohexane-1-carboxylic acid?
The InChIKey is USQHEVWOPJDAAX-WDSKDSINSA-N. The full InChI is InChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6-/m0/s1.
What are the key properties of trans-(1S,2S)-2-aminocyclohexane-1-carboxylic acid?
trans-(1S,2S)-2-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 trans-(1S,2S)-2-aminocyclohexane-1-carboxylic acid is sourced from PubChem (CID 7128323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).