7-(oxane-4-carbonylamino)heptanoic acid

C13H23NO4 — CID 28779379

IUPAC7-(oxane-4-carbonylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)C1CCOCC1
InChIInChI=1S/C13H23NO4/c15-12(16)5-3-1-2-4-8-14-13(17)11-6-9-18-10-7-11/h11H,1-10H2,(H,14,17)(H,15,16)
InChIKeyIWMWUJTVGJGREC-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.56
Rot. Bonds8

About 7-(oxane-4-carbonylamino)heptanoic acid

7-(oxane-4-carbonylamino)heptanoic acid (PubChem CID 28779379) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 7-(oxane-4-carbonylamino)heptanoic acid.

Molecular Properties

Compound Name7-(oxane-4-carbonylamino)heptanoic acid
PubChem CID28779379
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name7-(oxane-4-carbonylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)C1CCOCC1
InChIInChI=1S/C13H23NO4/c15-12(16)5-3-1-2-4-8-14-13(17)11-6-9-18-10-7-11/h11H,1-10H2,(H,14,17)(H,15,16)
InChIKeyIWMWUJTVGJGREC-UHFFFAOYSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.56
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

6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
N-(4-bromobutyl)oxane-4-carboxamide
CID 106845809
7-[(2-methyloxane-4-carbonyl)amino]heptanoic acid
CID 120524056
7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid
CID 64766728
6-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]hexanoic acid
CID 119220217
6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid
CID 30112632
7-(pyrrolidine-3-carbonylamino)heptanoic acid
CID 63005734
6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid
CID 66010231
5-(cyclopent-3-ene-1-carbonylamino)pentanoic acid
CID 64766388
N-(4-bromobutyl)oxolane-3-carboxamide
CID 106845774
7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid
CID 63047132

Frequently Asked Questions

What is the IUPAC name of 7-(oxane-4-carbonylamino)heptanoic acid?
The IUPAC name of 7-(oxane-4-carbonylamino)heptanoic acid (CID 28779379) is 7-(oxane-4-carbonylamino)heptanoic acid.
What is the SMILES notation for 7-(oxane-4-carbonylamino)heptanoic acid?
The canonical SMILES for 7-(oxane-4-carbonylamino)heptanoic acid is O=C(O)CCCCCCNC(=O)C1CCOCC1.
What is the InChIKey of 7-(oxane-4-carbonylamino)heptanoic acid?
The InChIKey is IWMWUJTVGJGREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c15-12(16)5-3-1-2-4-8-14-13(17)11-6-9-18-10-7-11/h11H,1-10H2,(H,14,17)(H,15,16).
What are the key properties of 7-(oxane-4-carbonylamino)heptanoic acid?
7-(oxane-4-carbonylamino)heptanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxane-4-carbonylamino)heptanoic acid is sourced from PubChem (CID 28779379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).