7-aminonon-3-enedioic acid

C9H15NO4 — CID 175407467

IUPAC7-aminonon-3-enedioic acid
SMILESNC(CCC=CCC(=O)O)CC(=O)O
InChIInChI=1S/C9H15NO4/c10-7(6-9(13)14)4-2-1-3-5-8(11)12/h1,3,7H,2,4-6,10H2,(H,11,12)(H,13,14)
InChIKeySRITVQLVBFSAAT-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.60
Rot. Bonds7

About 7-aminonon-3-enedioic acid

7-aminonon-3-enedioic acid (PubChem CID 175407467) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 7-aminonon-3-enedioic acid.

Molecular Properties

Compound Name7-aminonon-3-enedioic acid
PubChem CID175407467
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name7-aminonon-3-enedioic acid
SMILESNC(CCC=CCC(=O)O)CC(=O)O
InChIInChI=1S/C9H15NO4/c10-7(6-9(13)14)4-2-1-3-5-8(11)12/h1,3,7H,2,4-6,10H2,(H,11,12)(H,13,14)
InChIKeySRITVQLVBFSAAT-UHFFFAOYSA-N
XLogP0.60
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxyoct-3-enoic acid
CID 85299253
(E)-6-aminooct-3-enoic acid
CID 169196250
(E)-6-aminohex-3-enoic acid
CID 19017972
azane;3,5-diaminopentanoic acid
CID 173202896
(3R)-3,6-diaminohexanoic acid;3,6-diaminohexanoic acid
CID 87126167
(E,7R,8S)-8-hydroxy-7,9-dimethyldec-3-enoic acid
CID 88891643
3-aminodocosanedioic acid
CID 57269564
3-amino-12-hydroxydodecanoic acid
CID 146253643
3,7-diaminoheptanoic acid
CID 4695301
azane;3,5-diaminopentanoic acid;iron;hydrate
CID 173139840
(E)-6-oxohept-3-enedioic acid
CID 15386024
(3E)-octa-3,7-dienoic acid
CID 12688314

Frequently Asked Questions

What is the IUPAC name of 7-aminonon-3-enedioic acid?
The IUPAC name of 7-aminonon-3-enedioic acid (CID 175407467) is 7-aminonon-3-enedioic acid.
What is the SMILES notation for 7-aminonon-3-enedioic acid?
The canonical SMILES for 7-aminonon-3-enedioic acid is NC(CCC=CCC(=O)O)CC(=O)O.
What is the InChIKey of 7-aminonon-3-enedioic acid?
The InChIKey is SRITVQLVBFSAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c10-7(6-9(13)14)4-2-1-3-5-8(11)12/h1,3,7H,2,4-6,10H2,(H,11,12)(H,13,14).
What are the key properties of 7-aminonon-3-enedioic acid?
7-aminonon-3-enedioic acid has a molecular weight of 201.22 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aminonon-3-enedioic acid is sourced from PubChem (CID 175407467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).