4-aminocyclohexane-1,2-dicarboxylic acid

C8H13NO4 — CID 22559921

IUPAC4-aminocyclohexane-1,2-dicarboxylic acid
SMILESNC1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C8H13NO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h4-6H,1-3,9H2,(H,10,11)(H,12,13)
InChIKeyIPYHPBDWEPLNQH-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.10
Rot. Bonds2

About 4-aminocyclohexane-1,2-dicarboxylic acid

4-aminocyclohexane-1,2-dicarboxylic acid (PubChem CID 22559921) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 4-aminocyclohexane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-aminocyclohexane-1,2-dicarboxylic acid
PubChem CID22559921
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name4-aminocyclohexane-1,2-dicarboxylic acid
SMILESNC1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C8H13NO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h4-6H,1-3,9H2,(H,10,11)(H,12,13)
InChIKeyIPYHPBDWEPLNQH-UHFFFAOYSA-N
XLogP-0.10
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid
CID 162343513
5-amino-2-[(4-amino-2-carboxycyclohexyl)methyl]cyclohexane-1-carboxylic acid
CID 142513853
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid
CID 656716
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
4-amino-2-methylcyclopentane-1-carboxylic acid
CID 89122843
(1R,2S,4R)-4-methylcyclohexane-1,2-dicarboxylic acid
CID 92643804
(3S)-3-aminocyclohexane-1-carboxylic acid
CID 67383005
(1R,2S,4S,5S)-4,5-dibromocyclohexane-1,2-dicarboxylic acid
CID 7500869
3-aminocyclododecane-1-carboxylic acid
CID 71162813
methyl (1S,2R,5S)-5-amino-2-methylcyclohexane-1-carboxylate
CID 155905120
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3,6,7-tetracarboxylic acid
CID 67173351

Frequently Asked Questions

What is the IUPAC name of 4-aminocyclohexane-1,2-dicarboxylic acid?
The IUPAC name of 4-aminocyclohexane-1,2-dicarboxylic acid (CID 22559921) is 4-aminocyclohexane-1,2-dicarboxylic acid.
What is the SMILES notation for 4-aminocyclohexane-1,2-dicarboxylic acid?
The canonical SMILES for 4-aminocyclohexane-1,2-dicarboxylic acid is NC1CCC(C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 4-aminocyclohexane-1,2-dicarboxylic acid?
The InChIKey is IPYHPBDWEPLNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h4-6H,1-3,9H2,(H,10,11)(H,12,13).
What are the key properties of 4-aminocyclohexane-1,2-dicarboxylic acid?
4-aminocyclohexane-1,2-dicarboxylic acid has a molecular weight of 187.19 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminocyclohexane-1,2-dicarboxylic acid is sourced from PubChem (CID 22559921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).