4-[(4-carboxycyclohexyl)amino]cyclohexane-1-carboxylic acid

C14H23NO4 — CID 90478385

IUPAC4-[(4-carboxycyclohexyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C14H23NO4/c16-13(17)9-1-5-11(6-2-9)15-12-7-3-10(4-8-12)14(18)19/h9-12,15H,1-8H2,(H,16,17)(H,18,19)
InChIKeyHXJADPGFQYNNPG-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.86
Rot. Bonds4

About 4-[(4-carboxycyclohexyl)amino]cyclohexane-1-carboxylic acid

4-[(4-carboxycyclohexyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 90478385) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[(4-carboxycyclohexyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-carboxycyclohexyl)amino]cyclohexane-1-carboxylic acid
PubChem CID90478385
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name4-[(4-carboxycyclohexyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C14H23NO4/c16-13(17)9-1-5-11(6-2-9)15-12-7-3-10(4-8-12)14(18)19/h9-12,15H,1-8H2,(H,16,17)(H,18,19)
InChIKeyHXJADPGFQYNNPG-UHFFFAOYSA-N
XLogP1.86
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-Acetamidocyclohexane-1-carboxylic acid
CID 14788214
4-(Hexadecylamino)cyclohexane-1-carboxylic acid
CID 44279625
4-Cyclopentaneamidocyclohexane-1-carboxylic acid
CID 21572331
4-(2-Cyclopentylacetamido)cyclohexane-1-carboxylic acid
CID 47003024
4-(2-Cyclohexylacetamido)cyclohexane-1-carboxylic acid
CID 47003034
Cis-4-(methylamino)cyclohexanecarboxylic acid
CID 429561
4-Methylaminocyclohexane-1-carboxylic acid
CID 24197306
cis-4-Ammoniocyclohexanecarboxylate hemihydrate
CID 139059415
4-(2,2,2-Trifluoroethylamino)cyclohexane-1-carboxylic acid
CID 60809885
4-(2,2-Difluoroethylamino)cyclohexane-1-carboxylic acid
CID 60922417
4-(3,3,3-Trifluoropropylamino)cyclohexane-1-carboxylic acid
CID 64566527
4-[[3-(Trifluoromethyl)cyclohexyl]amino]cyclohexane-1-carboxylic acid
CID 65054678

Frequently Asked Questions

What is the IUPAC name of 4-[(4-carboxycyclohexyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-carboxycyclohexyl)amino]cyclohexane-1-carboxylic acid (CID 90478385) is 4-[(4-carboxycyclohexyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-carboxycyclohexyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-carboxycyclohexyl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-[(4-carboxycyclohexyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is HXJADPGFQYNNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c16-13(17)9-1-5-11(6-2-9)15-12-7-3-10(4-8-12)14(18)19/h9-12,15H,1-8H2,(H,16,17)(H,18,19).
What are the key properties of 4-[(4-carboxycyclohexyl)amino]cyclohexane-1-carboxylic acid?
4-[(4-carboxycyclohexyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carboxycyclohexyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 90478385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).