4-methyl-2-[(2,4,4-trimethylcyclopentyl)amino]pentanoic acid

C14H27NO2 — CID 106662419

IUPAC4-methyl-2-[(2,4,4-trimethylcyclopentyl)amino]pentanoic acid
SMILESCC(C)CC(NC1CC(C)(C)CC1C)C(=O)O
InChIInChI=1S/C14H27NO2/c1-9(2)6-11(13(16)17)15-12-8-14(4,5)7-10(12)3/h9-12,15H,6-8H2,1-5H3,(H,16,17)
InChIKeyXDCQQCZGRLVYKQ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.90
Rot. Bonds5

About 4-methyl-2-[(2,4,4-trimethylcyclopentyl)amino]pentanoic acid

4-methyl-2-[(2,4,4-trimethylcyclopentyl)amino]pentanoic acid (PubChem CID 106662419) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-methyl-2-[(2,4,4-trimethylcyclopentyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(2,4,4-trimethylcyclopentyl)amino]pentanoic acid
PubChem CID106662419
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-methyl-2-[(2,4,4-trimethylcyclopentyl)amino]pentanoic acid
SMILESCC(C)CC(NC1CC(C)(C)CC1C)C(=O)O
InChIInChI=1S/C14H27NO2/c1-9(2)6-11(13(16)17)15-12-8-14(4,5)7-10(12)3/h9-12,15H,6-8H2,1-5H3,(H,16,17)
InChIKeyXDCQQCZGRLVYKQ-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[(2,4,4-trimethylcyclopentyl)amino]butanoic acid
CID 106662418
(2R)-3-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid
CID 122037832
2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]acetic acid
CID 106662453
2,4,4-trimethyl-N-(1-methylsulfinylpropan-2-yl)cyclopentan-1-amine
CID 106662802
2-[(2,4,4-trimethylcyclohexyl)amino]propanoic acid
CID 81321434
4-methyl-2-[(3-methylcyclopentyl)amino]pentanoic acid
CID 64501348
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methylpentanoic acid
CID 64853101
3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid
CID 106661765
4-methyl-2-[(2-piperidin-2-ylcyclohexyl)amino]pentanoic acid
CID 79541389
(2R)-2-[[(2S,3S)-3-hydroxy-3-methyloxan-2-yl]amino]-4-methylpentanoic acid
CID 40539218
2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-4-methylpentanoic acid
CID 64864300
4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 55172631

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2,4,4-trimethylcyclopentyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(2,4,4-trimethylcyclopentyl)amino]pentanoic acid (CID 106662419) is 4-methyl-2-[(2,4,4-trimethylcyclopentyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(2,4,4-trimethylcyclopentyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(2,4,4-trimethylcyclopentyl)amino]pentanoic acid is CC(C)CC(NC1CC(C)(C)CC1C)C(=O)O.
What is the InChIKey of 4-methyl-2-[(2,4,4-trimethylcyclopentyl)amino]pentanoic acid?
The InChIKey is XDCQQCZGRLVYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-9(2)6-11(13(16)17)15-12-8-14(4,5)7-10(12)3/h9-12,15H,6-8H2,1-5H3,(H,16,17).
What are the key properties of 4-methyl-2-[(2,4,4-trimethylcyclopentyl)amino]pentanoic acid?
4-methyl-2-[(2,4,4-trimethylcyclopentyl)amino]pentanoic acid has a molecular weight of 241.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2,4,4-trimethylcyclopentyl)amino]pentanoic acid is sourced from PubChem (CID 106662419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).