6-amino-7-aminooxy-7-oxoheptanoic acid

C7H14N2O4 — CID 87229165

IUPAC6-amino-7-aminooxy-7-oxoheptanoic acid
SMILESNOC(=O)C(N)CCCCC(=O)O
InChIInChI=1S/C7H14N2O4/c8-5(7(12)13-9)3-1-2-4-6(10)11/h5H,1-4,8-9H2,(H,10,11)
InChIKeyVTPLQTIZPNRQBQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP-0.62
Rot. Bonds6

About 6-amino-7-aminooxy-7-oxoheptanoic acid

6-amino-7-aminooxy-7-oxoheptanoic acid (PubChem CID 87229165) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 6-amino-7-aminooxy-7-oxoheptanoic acid.

Molecular Properties

Compound Name6-amino-7-aminooxy-7-oxoheptanoic acid
PubChem CID87229165
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name6-amino-7-aminooxy-7-oxoheptanoic acid
SMILESNOC(=O)C(N)CCCCC(=O)O
InChIInChI=1S/C7H14N2O4/c8-5(7(12)13-9)3-1-2-4-6(10)11/h5H,1-4,8-9H2,(H,10,11)
InChIKeyVTPLQTIZPNRQBQ-UHFFFAOYSA-N
XLogP-0.62
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-7-carboxyoxy-7-oxoheptanoic acid
CID 174448817
amino (2S)-2,6-diaminohexanoate
CID 18651785
amino 2-aminododecanoate
CID 174504612
6,12-diaminoheptadecanedioic acid
CID 23455605
6-amino-8-aminooxy-8-oxooctanoic acid
CID 175277198
2-aminooctanedioic acid;2-aminopropanedioic acid
CID 159597663
5-aminododecanedioic acid
CID 3835680
(4S)-4-amino-5-oxohenicosanedioic acid
CID 90040978
10-(2,6-diaminohexanoylperoxy)-10-oxodecanoic acid
CID 176659726
(2S)-2-aminobutanedioic acid;2-aminooctanedioic acid
CID 161168741
(6S)-6-aminoheptanoic acid
CID 54134193
(2S)-2-aminooctanedioic acid;2-oxooctanedioic acid
CID 158254947

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-aminooxy-7-oxoheptanoic acid?
The IUPAC name of 6-amino-7-aminooxy-7-oxoheptanoic acid (CID 87229165) is 6-amino-7-aminooxy-7-oxoheptanoic acid.
What is the SMILES notation for 6-amino-7-aminooxy-7-oxoheptanoic acid?
The canonical SMILES for 6-amino-7-aminooxy-7-oxoheptanoic acid is NOC(=O)C(N)CCCCC(=O)O.
What is the InChIKey of 6-amino-7-aminooxy-7-oxoheptanoic acid?
The InChIKey is VTPLQTIZPNRQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c8-5(7(12)13-9)3-1-2-4-6(10)11/h5H,1-4,8-9H2,(H,10,11).
What are the key properties of 6-amino-7-aminooxy-7-oxoheptanoic acid?
6-amino-7-aminooxy-7-oxoheptanoic acid has a molecular weight of 190.20 g/mol, XLogP of -0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-aminooxy-7-oxoheptanoic acid is sourced from PubChem (CID 87229165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).