(3R)-1-amino-3-[(dimethylamino)methyl]-5-methylcyclohexane-1-carboxylic acid

C11H22N2O2 — CID 155106665

IUPAC(3R)-1-amino-3-[(dimethylamino)methyl]-5-methylcyclohexane-1-carboxylic acid
SMILESCC1C[C@@H](CN(C)C)CC(N)(C(=O)O)C1
InChIInChI=1S/C11H22N2O2/c1-8-4-9(7-13(2)3)6-11(12,5-8)10(14)15/h8-9H,4-7,12H2,1-3H3,(H,14,15)/t8?,9-,11?/m1/s1
InChIKeyVSDVUFNBWSAJIE-INWMGODYSA-N
MW214.31 g/mol
LogP0.77
Rot. Bonds3

About (3R)-1-amino-3-[(dimethylamino)methyl]-5-methylcyclohexane-1-carboxylic acid

(3R)-1-amino-3-[(dimethylamino)methyl]-5-methylcyclohexane-1-carboxylic acid (PubChem CID 155106665) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (3R)-1-amino-3-[(dimethylamino)methyl]-5-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-amino-3-[(dimethylamino)methyl]-5-methylcyclohexane-1-carboxylic acid
PubChem CID155106665
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(3R)-1-amino-3-[(dimethylamino)methyl]-5-methylcyclohexane-1-carboxylic acid
SMILESCC1C[C@@H](CN(C)C)CC(N)(C(=O)O)C1
InChIInChI=1S/C11H22N2O2/c1-8-4-9(7-13(2)3)6-11(12,5-8)10(14)15/h8-9H,4-7,12H2,1-3H3,(H,14,15)/t8?,9-,11?/m1/s1
InChIKeyVSDVUFNBWSAJIE-INWMGODYSA-N
XLogP0.77
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid;hydrochloride
CID 105439814
4-aminocyclopentane-1,2,4-tricarboxylic acid
CID 4302961
2-[methyl-[2-(3,3,5-trimethylcyclohexyl)acetyl]amino]acetic acid
CID 119171819
cis-(1R,5R)-1-amino-2-[(dimethylamino)methyl]-5-[2-[hydroxy(methyl)boranyl]ethyl]cyclohexane-1-carboxylic acid
CID 157480868
trans-(3R,4R)-1-amino-3,4-dimethoxycyclopentane-1-carboxylic acid
CID 102274744
(1-aminocyclobutyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 81172154
2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid
CID 64555060
(5R)-1-amino-3-(aminomethyl)-5-(2-boronoethyl)cyclohexane-1-carboxylic acid
CID 145395412
5-[(dimethylamino)methyl]-2-methylpiperidine-3-carboxylic acid
CID 83916104
cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid
CID 10329917
2-[(1S,5S)-3,3,5-trimethylcyclohexyl]acetic acid
CID 40579133
1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide
CID 114948978

Frequently Asked Questions

What is the IUPAC name of (3R)-1-amino-3-[(dimethylamino)methyl]-5-methylcyclohexane-1-carboxylic acid?
The IUPAC name of (3R)-1-amino-3-[(dimethylamino)methyl]-5-methylcyclohexane-1-carboxylic acid (CID 155106665) is (3R)-1-amino-3-[(dimethylamino)methyl]-5-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for (3R)-1-amino-3-[(dimethylamino)methyl]-5-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for (3R)-1-amino-3-[(dimethylamino)methyl]-5-methylcyclohexane-1-carboxylic acid is CC1C[C@@H](CN(C)C)CC(N)(C(=O)O)C1.
What is the InChIKey of (3R)-1-amino-3-[(dimethylamino)methyl]-5-methylcyclohexane-1-carboxylic acid?
The InChIKey is VSDVUFNBWSAJIE-INWMGODYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8-4-9(7-13(2)3)6-11(12,5-8)10(14)15/h8-9H,4-7,12H2,1-3H3,(H,14,15)/t8?,9-,11?/m1/s1.
What are the key properties of (3R)-1-amino-3-[(dimethylamino)methyl]-5-methylcyclohexane-1-carboxylic acid?
(3R)-1-amino-3-[(dimethylamino)methyl]-5-methylcyclohexane-1-carboxylic acid has a molecular weight of 214.31 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-amino-3-[(dimethylamino)methyl]-5-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 155106665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).