7-[(2-methyloxane-4-carbonyl)amino]heptanoic acid

C14H25NO4 — CID 120524056

IUPAC7-[(2-methyloxane-4-carbonyl)amino]heptanoic acid
SMILESCC1CC(C(=O)NCCCCCCC(=O)O)CCO1
InChIInChI=1S/C14H25NO4/c1-11-10-12(7-9-19-11)14(18)15-8-5-3-2-4-6-13(16)17/h11-12H,2-10H2,1H3,(H,15,18)(H,16,17)
InChIKeyQIQYCZTVVRPJKY-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.95
Rot. Bonds8

About 7-[(2-methyloxane-4-carbonyl)amino]heptanoic acid

7-[(2-methyloxane-4-carbonyl)amino]heptanoic acid (PubChem CID 120524056) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 7-[(2-methyloxane-4-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(2-methyloxane-4-carbonyl)amino]heptanoic acid
PubChem CID120524056
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name7-[(2-methyloxane-4-carbonyl)amino]heptanoic acid
SMILESCC1CC(C(=O)NCCCCCCC(=O)O)CCO1
InChIInChI=1S/C14H25NO4/c1-11-10-12(7-9-19-11)14(18)15-8-5-3-2-4-6-13(16)17/h11-12H,2-10H2,1H3,(H,15,18)(H,16,17)
InChIKeyQIQYCZTVVRPJKY-UHFFFAOYSA-N
XLogP1.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-2-methyloxane-4-carboxamide
CID 130709056
7-(oxane-4-carbonylamino)heptanoic acid
CID 28779379
6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid
CID 99849397
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid
CID 66010231
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
2,2-dimethyl-3-[(2-methyloxane-4-carbonyl)amino]propanoic acid
CID 120527941
7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid
CID 63047132
6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid
CID 30112632
7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid
CID 64766728
2-methyloxane-4-carboxylic acid
CID 3729256
6-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]hexanoic acid
CID 129436866

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methyloxane-4-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(2-methyloxane-4-carbonyl)amino]heptanoic acid (CID 120524056) is 7-[(2-methyloxane-4-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(2-methyloxane-4-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(2-methyloxane-4-carbonyl)amino]heptanoic acid is CC1CC(C(=O)NCCCCCCC(=O)O)CCO1.
What is the InChIKey of 7-[(2-methyloxane-4-carbonyl)amino]heptanoic acid?
The InChIKey is QIQYCZTVVRPJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-11-10-12(7-9-19-11)14(18)15-8-5-3-2-4-6-13(16)17/h11-12H,2-10H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 7-[(2-methyloxane-4-carbonyl)amino]heptanoic acid?
7-[(2-methyloxane-4-carbonyl)amino]heptanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methyloxane-4-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 120524056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).