1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylic acid

C16H28N2O2 — CID 79641776

IUPAC1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(CC1CC2CCC1C2)C1CCCC(N)(C(=O)O)C1
InChIInChI=1S/C16H28N2O2/c1-18(10-13-8-11-4-5-12(13)7-11)14-3-2-6-16(17,9-14)15(19)20/h11-14H,2-10,17H2,1H3,(H,19,20)
InChIKeyCOLVVDNIYJOMKK-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.08
Rot. Bonds4

About 1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylic acid

1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 79641776) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylic acid
PubChem CID79641776
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(CC1CC2CCC1C2)C1CCCC(N)(C(=O)O)C1
InChIInChI=1S/C16H28N2O2/c1-18(10-13-8-11-4-5-12(13)7-11)14-3-2-6-16(17,9-14)15(19)20/h11-14H,2-10,17H2,1H3,(H,19,20)
InChIKeyCOLVVDNIYJOMKK-UHFFFAOYSA-N
XLogP2.08
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

methyl 1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylate
CID 79633577
1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylcyclobutane-1-carboxamide
CID 81169750
1-amino-3-(dimethylamino)cyclohexane-1-carboxylic acid
CID 79636513
1-amino-3-[cyclopropyl(ethyl)amino]cyclohexane-1-carboxylic acid
CID 79636761
trans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol
CID 102734752
1-amino-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 79636531
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N-methylcyclopentane-1,3-diamine
CID 79468782
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexan-1-one
CID 79618760
1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64552555
1-amino-3-[methyl(2-methylpropyl)amino]cyclopentane-1-carboxylic acid
CID 79650269
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N-ethyl-1-N-methylcyclohexane-1,3-diamine
CID 79618401
1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid
CID 79636910

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylic acid (CID 79641776) is 1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylic acid is CN(CC1CC2CCC1C2)C1CCCC(N)(C(=O)O)C1.
What is the InChIKey of 1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is COLVVDNIYJOMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-18(10-13-8-11-4-5-12(13)7-11)14-3-2-6-16(17,9-14)15(19)20/h11-14H,2-10,17H2,1H3,(H,19,20).
What are the key properties of 1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylic acid?
1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 280.41 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79641776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).