3-methyl-2-[(1-methylcyclohexyl)amino]butanoic acid

C12H23NO2 — CID 103244876

IUPAC3-methyl-2-[(1-methylcyclohexyl)amino]butanoic acid
SMILESCC(C)C(NC1(C)CCCCC1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-9(2)10(11(14)15)13-12(3)7-5-4-6-8-12/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyGQCSJBOSAIHBFI-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.41
Rot. Bonds4

About 3-methyl-2-[(1-methylcyclohexyl)amino]butanoic acid

3-methyl-2-[(1-methylcyclohexyl)amino]butanoic acid (PubChem CID 103244876) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-methyl-2-[(1-methylcyclohexyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(1-methylcyclohexyl)amino]butanoic acid
PubChem CID103244876
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-methyl-2-[(1-methylcyclohexyl)amino]butanoic acid
SMILESCC(C)C(NC1(C)CCCCC1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-9(2)10(11(14)15)13-12(3)7-5-4-6-8-12/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyGQCSJBOSAIHBFI-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid
CID 103264847
3-methyl-2-[(1-methylcyclopropyl)amino]butanoic acid
CID 103264016
2-methyl-3-[(1-methylcyclohexyl)amino]butanoic acid
CID 103718946
3-methyl-2-[[1-(3-methylcyclohexyl)cycloheptyl]amino]butanoic acid
CID 175398948
(2R)-3,3-dimethyl-2-[(1-methylcyclohexyl)carbamoylamino]butanoic acid
CID 103927907
2-[(1-methylcyclopentyl)amino]pentanoic acid
CID 83041723
2,3-dimethyl-4-[(1-methylcyclopentyl)amino]-4-oxobutanoic acid
CID 103498024
2-[(1-methylcyclopentyl)amino]-N-pentan-3-ylpropanamide
CID 61364601
3,3-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]butanoic acid
CID 64689246
2-[(1-methylcyclopentyl)amino]-2-oxoacetic acid
CID 64687877
N-(1-methylcyclohexyl)-2-sulfanylpropanamide
CID 107027312
(2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid
CID 80757359

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1-methylcyclohexyl)amino]butanoic acid?
The IUPAC name of 3-methyl-2-[(1-methylcyclohexyl)amino]butanoic acid (CID 103244876) is 3-methyl-2-[(1-methylcyclohexyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(1-methylcyclohexyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[(1-methylcyclohexyl)amino]butanoic acid is CC(C)C(NC1(C)CCCCC1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(1-methylcyclohexyl)amino]butanoic acid?
The InChIKey is GQCSJBOSAIHBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)10(11(14)15)13-12(3)7-5-4-6-8-12/h9-10,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 3-methyl-2-[(1-methylcyclohexyl)amino]butanoic acid?
3-methyl-2-[(1-methylcyclohexyl)amino]butanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1-methylcyclohexyl)amino]butanoic acid is sourced from PubChem (CID 103244876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).