7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid

C13H24N2O4 — CID 115294507

IUPAC7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid
SMILESNC1(C(=O)NCCCCCCC(=O)O)CCOCC1
InChIInChI=1S/C13H24N2O4/c14-13(6-9-19-10-7-13)12(18)15-8-4-2-1-3-5-11(16)17/h1-10,14H2,(H,15,18)(H,16,17)
InChIKeyBSAGVISRUSAFCL-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.65
Rot. Bonds8

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

7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid (PubChem CID 115294507) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid
PubChem CID115294507
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid
SMILESNC1(C(=O)NCCCCCCC(=O)O)CCOCC1
InChIInChI=1S/C13H24N2O4/c14-13(6-9-19-10-7-13)12(18)15-8-4-2-1-3-5-11(16)17/h1-10,14H2,(H,15,18)(H,16,17)
InChIKeyBSAGVISRUSAFCL-UHFFFAOYSA-N
XLogP0.65
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-butyloxane-4-carboxamide
CID 115293500
3-amino-N-(5-amino-5-oxopentyl)oxolane-3-carboxamide
CID 106235837
4-amino-N-hex-5-ynyloxane-4-carboxamide
CID 103950464
4-amino-N-(2-aminoethyl)oxane-4-carboxamide
CID 115294627
4-amino-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 115293654
4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide
CID 115556917
5-[(4-aminooxane-4-carbonyl)amino]-2-methylpentanoic acid
CID 112547775
4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid
CID 114285703
6-[(4-hydroxyoxan-4-yl)methylamino]hexanoic acid
CID 81131310
methyl 7-[(1-aminocyclopropanecarbonyl)amino]heptanoate
CID 119701294
4-amino-N-but-3-ynyloxane-4-carboxamide
CID 115294969
7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid
CID 115437669

Frequently Asked Questions

What is the IUPAC name of 7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid (CID 115294507) is 7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid is NC1(C(=O)NCCCCCCC(=O)O)CCOCC1.
What is the InChIKey of 7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid?
The InChIKey is BSAGVISRUSAFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c14-13(6-9-19-10-7-13)12(18)15-8-4-2-1-3-5-11(16)17/h1-10,14H2,(H,15,18)(H,16,17).
What are the key properties of 7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid?
7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 115294507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).