4,4-dimethyl-6-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid

C14H25NO4 — CID 114824492

IUPAC4,4-dimethyl-6-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid
SMILESCC1CC(C(=O)NCCC(C)(C)CCC(=O)O)CO1
InChIInChI=1S/C14H25NO4/c1-10-8-11(9-19-10)13(18)15-7-6-14(2,3)5-4-12(16)17/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyYMFJCXUUUFCESY-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.81
Rot. Bonds7

About 4,4-dimethyl-6-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid

4,4-dimethyl-6-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid (PubChem CID 114824492) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4,4-dimethyl-6-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid
PubChem CID114824492
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name4,4-dimethyl-6-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid
SMILESCC1CC(C(=O)NCCC(C)(C)CCC(=O)O)CO1
InChIInChI=1S/C14H25NO4/c1-10-8-11(9-19-10)13(18)15-7-6-14(2,3)5-4-12(16)17/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyYMFJCXUUUFCESY-UHFFFAOYSA-N
XLogP1.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-6-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(4-aminocyclohexanecarbonyl)amino]-4,4-dimethylhexanoic acid
CID 65285791
2-methyl-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824533
5-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid
CID 114824579
2-methyl-5-[(5-methyloxolane-3-carbonyl)amino]pentanoic acid
CID 114824595
3-methyl-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824539
6-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65285883
N-(2-hydroxy-4,4-dimethylpentyl)-5-methyloxolane-3-carboxamide
CID 102677242
N-[2-(2-bromoethoxy)ethyl]-5-methyloxolane-3-carboxamide
CID 114823271
N-(4-chloropentyl)-5-methyloxolane-3-carboxamide
CID 106129813
5-methyl-N-(2-pyrrolidin-3-ylethyl)oxolane-3-carboxamide
CID 114826399
N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide
CID 104979236
N-but-2-ynyl-5-methyloxolane-3-carboxamide
CID 126992947

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid (CID 114824492) is 4,4-dimethyl-6-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid is CC1CC(C(=O)NCCC(C)(C)CCC(=O)O)CO1.
What is the InChIKey of 4,4-dimethyl-6-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid?
The InChIKey is YMFJCXUUUFCESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10-8-11(9-19-10)13(18)15-7-6-14(2,3)5-4-12(16)17/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 4,4-dimethyl-6-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid?
4,4-dimethyl-6-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 114824492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).