2-[(3-methyloxan-3-yl)carbamoylamino]hexanoic acid

C13H24N2O4 — CID 114114265

IUPAC2-[(3-methyloxan-3-yl)carbamoylamino]hexanoic acid
SMILESCCCCC(NC(=O)NC1(C)CCCOC1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-3-4-6-10(11(16)17)14-12(18)15-13(2)7-5-8-19-9-13/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyZEZHZDVDWURBPF-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.50
Rot. Bonds6

About 2-[(3-methyloxan-3-yl)carbamoylamino]hexanoic acid

2-[(3-methyloxan-3-yl)carbamoylamino]hexanoic acid (PubChem CID 114114265) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[(3-methyloxan-3-yl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(3-methyloxan-3-yl)carbamoylamino]hexanoic acid
PubChem CID114114265
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[(3-methyloxan-3-yl)carbamoylamino]hexanoic acid
SMILESCCCCC(NC(=O)NC1(C)CCCOC1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-3-4-6-10(11(16)17)14-12(18)15-13(2)7-5-8-19-9-13/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyZEZHZDVDWURBPF-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(3-methyloxan-3-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

2-[(4-methyloxan-4-yl)carbamoylamino]pentanoic acid
CID 113491249
(2R)-2-[(4-methyloxan-4-yl)carbamoylamino]hexanedioic acid
CID 107841154
(2R)-2-[(1-methylcyclohexyl)carbamoylamino]hexanedioic acid
CID 107839454
4-amino-2-[(3-methyloxolan-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 113364506
5-methoxy-2-[(1-methylcyclohexyl)carbamoylamino]pentanoic acid
CID 81085133
(2R)-5-methoxy-2-[(1-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
CID 107828105
(2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid
CID 80757359
(2R)-2-[(1-methylcyclohexyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 104910190
(2S)-2-(ethylcarbamoylamino)hexanoic acid
CID 93057097
(2S)-4-methyl-2-[(4-methyloxan-4-yl)carbamoylamino]pentanoic acid
CID 104866649
2,2-dimethyl-3-[(3-methyloxan-3-yl)carbamoylamino]propanoic acid
CID 114114304
2-(1,4-oxazepane-4-carbonylamino)hexanoic acid
CID 62967980

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyloxan-3-yl)carbamoylamino]hexanoic acid?
The IUPAC name of 2-[(3-methyloxan-3-yl)carbamoylamino]hexanoic acid (CID 114114265) is 2-[(3-methyloxan-3-yl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 2-[(3-methyloxan-3-yl)carbamoylamino]hexanoic acid?
The canonical SMILES for 2-[(3-methyloxan-3-yl)carbamoylamino]hexanoic acid is CCCCC(NC(=O)NC1(C)CCCOC1)C(=O)O.
What is the InChIKey of 2-[(3-methyloxan-3-yl)carbamoylamino]hexanoic acid?
The InChIKey is ZEZHZDVDWURBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-4-6-10(11(16)17)14-12(18)15-13(2)7-5-8-19-9-13/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[(3-methyloxan-3-yl)carbamoylamino]hexanoic acid?
2-[(3-methyloxan-3-yl)carbamoylamino]hexanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyloxan-3-yl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 114114265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).