2-methyl-2-[(2-methylcyclohexyl)amino]pentanoic acid

C13H25NO2 — CID 61339773

IUPAC2-methyl-2-[(2-methylcyclohexyl)amino]pentanoic acid
SMILESCCCC(C)(NC1CCCCC1C)C(=O)O
InChIInChI=1S/C13H25NO2/c1-4-9-13(3,12(15)16)14-11-8-6-5-7-10(11)2/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyMJKBZQVPJADCCL-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.80
Rot. Bonds5

About 2-methyl-2-[(2-methylcyclohexyl)amino]pentanoic acid

2-methyl-2-[(2-methylcyclohexyl)amino]pentanoic acid (PubChem CID 61339773) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylcyclohexyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methylcyclohexyl)amino]pentanoic acid
PubChem CID61339773
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-methyl-2-[(2-methylcyclohexyl)amino]pentanoic acid
SMILESCCCC(C)(NC1CCCCC1C)C(=O)O
InChIInChI=1S/C13H25NO2/c1-4-9-13(3,12(15)16)14-11-8-6-5-7-10(11)2/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyMJKBZQVPJADCCL-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-aminocyclohexyl)amino]-2-methylpentanoic acid
CID 114988647
2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
CID 107175190
2-methyl-2-[(2-methylcycloheptyl)carbamoylamino]butanoic acid
CID 79801007
2-[(3,5-dimethylcyclohexyl)amino]-2-methylpentanoic acid
CID 64728456
2-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpentanoic acid
CID 105366139
2-methyl-2-(oxolan-3-ylamino)pentanoic acid
CID 63557368
2-(cyclohexylcarbamoylamino)-2-methylpentanoic acid
CID 43619151
2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid
CID 61181430
2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid
CID 61194709
2-(2-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113471946
2-(ethylamino)-2-methyl-N-(2-methylcyclohexyl)propanamide
CID 62832663
2-methyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanoic acid
CID 103961391

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylcyclohexyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(2-methylcyclohexyl)amino]pentanoic acid (CID 61339773) is 2-methyl-2-[(2-methylcyclohexyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methylcyclohexyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methylcyclohexyl)amino]pentanoic acid is CCCC(C)(NC1CCCCC1C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methylcyclohexyl)amino]pentanoic acid?
The InChIKey is MJKBZQVPJADCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-9-13(3,12(15)16)14-11-8-6-5-7-10(11)2/h10-11,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-2-[(2-methylcyclohexyl)amino]pentanoic acid?
2-methyl-2-[(2-methylcyclohexyl)amino]pentanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylcyclohexyl)amino]pentanoic acid is sourced from PubChem (CID 61339773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).