5-[(3-methyloxan-4-yl)carbamoylamino]hexanoic acid

C13H24N2O4 — CID 114241226

IUPAC5-[(3-methyloxan-4-yl)carbamoylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NC1CCOCC1C
InChIInChI=1S/C13H24N2O4/c1-9-8-19-7-6-11(9)15-13(18)14-10(2)4-3-5-12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyLZQYJIXTKLBSEG-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.35
Rot. Bonds6

About 5-[(3-methyloxan-4-yl)carbamoylamino]hexanoic acid

5-[(3-methyloxan-4-yl)carbamoylamino]hexanoic acid (PubChem CID 114241226) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 5-[(3-methyloxan-4-yl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name5-[(3-methyloxan-4-yl)carbamoylamino]hexanoic acid
PubChem CID114241226
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name5-[(3-methyloxan-4-yl)carbamoylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NC1CCOCC1C
InChIInChI=1S/C13H24N2O4/c1-9-8-19-7-6-11(9)15-13(18)14-10(2)4-3-5-12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyLZQYJIXTKLBSEG-UHFFFAOYSA-N
XLogP1.35
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[(3-methyloxan-4-yl)carbamoylamino]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

5-(oxan-4-ylcarbamoylamino)hexanoic acid
CID 82844829
4-methyl-5-[(3-methyloxan-4-yl)carbamoylamino]pentanoic acid
CID 114241256
5-(cyclobutylcarbamoylamino)hexanoic acid
CID 82848345
5-(pentan-2-ylcarbamoylamino)hexanoic acid
CID 82845875
(2S)-2-amino-N-(3-methyloxan-4-yl)propanamide
CID 130491694
5-(heptan-2-ylcarbamoylamino)hexanoic acid
CID 82848165
3-(oxan-3-ylcarbamoylamino)butanoic acid
CID 63361778
5-(2-methylpentan-3-ylcarbamoylamino)hexanoic acid
CID 82848913
5-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid
CID 114824579
5-(cyclobutylmethylcarbamoylamino)hexanoic acid
CID 82846581
6-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-methylheptanoic acid
CID 65289434
2-(hexan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64818299

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyloxan-4-yl)carbamoylamino]hexanoic acid?
The IUPAC name of 5-[(3-methyloxan-4-yl)carbamoylamino]hexanoic acid (CID 114241226) is 5-[(3-methyloxan-4-yl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 5-[(3-methyloxan-4-yl)carbamoylamino]hexanoic acid?
The canonical SMILES for 5-[(3-methyloxan-4-yl)carbamoylamino]hexanoic acid is CC(CCCC(=O)O)NC(=O)NC1CCOCC1C.
What is the InChIKey of 5-[(3-methyloxan-4-yl)carbamoylamino]hexanoic acid?
The InChIKey is LZQYJIXTKLBSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9-8-19-7-6-11(9)15-13(18)14-10(2)4-3-5-12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 5-[(3-methyloxan-4-yl)carbamoylamino]hexanoic acid?
5-[(3-methyloxan-4-yl)carbamoylamino]hexanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyloxan-4-yl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 114241226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).