4-aminocyclohexane-1-carboxylate

C7H12NO2- — CID 5246024

IUPAC4-aminocyclohexane-1-carboxylate
SMILESNC1CCC(C(=O)[O-])CC1
InChIInChI=1S/C7H13NO2/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/p-1
InChIKeyDRNGLYHKYPNTEA-UHFFFAOYSA-M
MW142.18 g/mol
LogP-0.75
Rot. Bonds1

About 4-aminocyclohexane-1-carboxylate

4-aminocyclohexane-1-carboxylate (PubChem CID 5246024) has the molecular formula C7H12NO2- and a molecular weight of 142.18 g/mol. Its IUPAC name is 4-aminocyclohexane-1-carboxylate.

Molecular Properties

Compound Name4-aminocyclohexane-1-carboxylate
PubChem CID5246024
Molecular FormulaC7H12NO2-
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name4-aminocyclohexane-1-carboxylate
SMILESNC1CCC(C(=O)[O-])CC1
InChIInChI=1S/C7H13NO2/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/p-1
InChIKeyDRNGLYHKYPNTEA-UHFFFAOYSA-M
XLogP-0.75
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-aminocyclohexane-1-carboxylate?
The IUPAC name of 4-aminocyclohexane-1-carboxylate (CID 5246024) is 4-aminocyclohexane-1-carboxylate.
What is the SMILES notation for 4-aminocyclohexane-1-carboxylate?
The canonical SMILES for 4-aminocyclohexane-1-carboxylate is NC1CCC(C(=O)[O-])CC1.
What is the InChIKey of 4-aminocyclohexane-1-carboxylate?
The InChIKey is DRNGLYHKYPNTEA-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13NO2/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/p-1.
What are the key properties of 4-aminocyclohexane-1-carboxylate?
4-aminocyclohexane-1-carboxylate has a molecular weight of 142.18 g/mol, XLogP of -0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminocyclohexane-1-carboxylate is sourced from PubChem (CID 5246024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).