7-[2-(carboxyamino)hydrazinyl]heptanoic acid

C8H17N3O4 — CID 19902964

IUPAC7-[2-(carboxyamino)hydrazinyl]heptanoic acid
SMILESO=C(O)CCCCCCNNNC(=O)O
InChIInChI=1S/C8H17N3O4/c12-7(13)5-3-1-2-4-6-9-11-10-8(14)15/h9-11H,1-6H2,(H,12,13)(H,14,15)
InChIKeySSCNTPQWQJWTQT-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.30
Rot. Bonds9

About 7-[2-(carboxyamino)hydrazinyl]heptanoic acid

7-[2-(carboxyamino)hydrazinyl]heptanoic acid (PubChem CID 19902964) has the molecular formula C8H17N3O4 and a molecular weight of 219.24 g/mol. Its IUPAC name is 7-[2-(carboxyamino)hydrazinyl]heptanoic acid.

Molecular Properties

Compound Name7-[2-(carboxyamino)hydrazinyl]heptanoic acid
PubChem CID19902964
Molecular FormulaC8H17N3O4
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Name7-[2-(carboxyamino)hydrazinyl]heptanoic acid
SMILESO=C(O)CCCCCCNNNC(=O)O
InChIInChI=1S/C8H17N3O4/c12-7(13)5-3-1-2-4-6-9-11-10-8(14)15/h9-11H,1-6H2,(H,12,13)(H,14,15)
InChIKeySSCNTPQWQJWTQT-UHFFFAOYSA-N
XLogP0.30
TPSA110.69 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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

17-[2-(2-carboxyhydrazinyl)hydrazinyl]heptadecanoic acid
CID 87380945
35-[2-[2-(2-carboxyhydrazinyl)hydrazinyl]hydrazinyl]pentatriacontanoic acid
CID 150834717
11-(2-hydrazinylhydrazinyl)undecanoic acid
CID 142469091
39-(2-hydrazinylhydrazinyl)nonatriacontanoic acid
CID 142420467
octanedioic acid;zinc
CID 87285694
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tridecanedioic acid;undecanedioic acid
CID 158333715
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010

Frequently Asked Questions

What is the IUPAC name of 7-[2-(carboxyamino)hydrazinyl]heptanoic acid?
The IUPAC name of 7-[2-(carboxyamino)hydrazinyl]heptanoic acid (CID 19902964) is 7-[2-(carboxyamino)hydrazinyl]heptanoic acid.
What is the SMILES notation for 7-[2-(carboxyamino)hydrazinyl]heptanoic acid?
The canonical SMILES for 7-[2-(carboxyamino)hydrazinyl]heptanoic acid is O=C(O)CCCCCCNNNC(=O)O.
What is the InChIKey of 7-[2-(carboxyamino)hydrazinyl]heptanoic acid?
The InChIKey is SSCNTPQWQJWTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4/c12-7(13)5-3-1-2-4-6-9-11-10-8(14)15/h9-11H,1-6H2,(H,12,13)(H,14,15).
What are the key properties of 7-[2-(carboxyamino)hydrazinyl]heptanoic acid?
7-[2-(carboxyamino)hydrazinyl]heptanoic acid has a molecular weight of 219.24 g/mol, XLogP of 0.30, 9 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(carboxyamino)hydrazinyl]heptanoic acid is sourced from PubChem (CID 19902964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).