5-amino-2-[(4-amino-2-carboxycyclohexyl)methyl]cyclohexane-1-carboxylic acid

C15H26N2O4 — CID 142513853

IUPAC5-amino-2-[(4-amino-2-carboxycyclohexyl)methyl]cyclohexane-1-carboxylic acid
SMILESNC1CCC(CC2CCC(N)CC2C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C15H26N2O4/c16-10-3-1-8(12(6-10)14(18)19)5-9-2-4-11(17)7-13(9)15(20)21/h8-13H,1-7,16-17H2,(H,18,19)(H,20,21)
InChIKeyDHFAKJVXVKMUPZ-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.03
Rot. Bonds4

About 5-amino-2-[(4-amino-2-carboxycyclohexyl)methyl]cyclohexane-1-carboxylic acid

5-amino-2-[(4-amino-2-carboxycyclohexyl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 142513853) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 5-amino-2-[(4-amino-2-carboxycyclohexyl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-[(4-amino-2-carboxycyclohexyl)methyl]cyclohexane-1-carboxylic acid
PubChem CID142513853
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name5-amino-2-[(4-amino-2-carboxycyclohexyl)methyl]cyclohexane-1-carboxylic acid
SMILESNC1CCC(CC2CCC(N)CC2C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C15H26N2O4/c16-10-3-1-8(12(6-10)14(18)19)5-9-2-4-11(17)7-13(9)15(20)21/h8-13H,1-7,16-17H2,(H,18,19)(H,20,21)
InChIKeyDHFAKJVXVKMUPZ-UHFFFAOYSA-N
XLogP1.03
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(4-amino-2-carboxycyclohexyl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 5-amino-2-[(4-amino-2-carboxycyclohexyl)methyl]cyclohexane-1-carboxylic acid (CID 142513853) is 5-amino-2-[(4-amino-2-carboxycyclohexyl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 5-amino-2-[(4-amino-2-carboxycyclohexyl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 5-amino-2-[(4-amino-2-carboxycyclohexyl)methyl]cyclohexane-1-carboxylic acid is NC1CCC(CC2CCC(N)CC2C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 5-amino-2-[(4-amino-2-carboxycyclohexyl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is DHFAKJVXVKMUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c16-10-3-1-8(12(6-10)14(18)19)5-9-2-4-11(17)7-13(9)15(20)21/h8-13H,1-7,16-17H2,(H,18,19)(H,20,21).
What are the key properties of 5-amino-2-[(4-amino-2-carboxycyclohexyl)methyl]cyclohexane-1-carboxylic acid?
5-amino-2-[(4-amino-2-carboxycyclohexyl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.03, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(4-amino-2-carboxycyclohexyl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 142513853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).