(Z)-2,7-diaminooct-4-enedioic acid

C8H14N2O4 — CID 90205978

IUPAC(Z)-2,7-diaminooct-4-enedioic acid
SMILESNC(C/C=C\CC(N)C(=O)O)C(=O)O
InChIInChI=1S/C8H14N2O4/c9-5(7(11)12)3-1-2-4-6(10)8(13)14/h1-2,5-6H,3-4,9-10H2,(H,11,12)(H,13,14)/b2-1-
InChIKeyBFXNXODAMRCMKX-UPHRSURJSA-N
MW202.21 g/mol
LogP-0.85
Rot. Bonds6

About (Z)-2,7-diaminooct-4-enedioic acid

(Z)-2,7-diaminooct-4-enedioic acid (PubChem CID 90205978) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is (Z)-2,7-diaminooct-4-enedioic acid.

Molecular Properties

Compound Name(Z)-2,7-diaminooct-4-enedioic acid
PubChem CID90205978
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name(Z)-2,7-diaminooct-4-enedioic acid
SMILESNC(C/C=C\CC(N)C(=O)O)C(=O)O
InChIInChI=1S/C8H14N2O4/c9-5(7(11)12)3-1-2-4-6(10)8(13)14/h1-2,5-6H,3-4,9-10H2,(H,11,12)(H,13,14)/b2-1-
InChIKeyBFXNXODAMRCMKX-UPHRSURJSA-N
XLogP-0.85
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z,2S)-2-amino-5-iodopent-4-enoic acid
CID 92531833
(Z,2S)-2-aminohex-4-enoic acid
CID 91998876
(Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione
CID 166997414
(E,2S)-2-amino-6,6-dimethylhept-4-enoic acid
CID 58150151
(E)-2-amino-5-(diaminomethylideneamino)pent-4-enoic acid
CID 130144807
(2S)-2-amino-5-methylsulfonylpent-4-enoic acid
CID 174239098
(E)-2,6-diamino-2-methylhept-3-enedioic acid
CID 22297949
2-aminopent-4-enoic acid;cyclohexane
CID 174929503
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-5-pyridin-4-ylpent-4-enoic acid
CID 67375664
[(3S)-3-amino-3-carboxypropylidene]-methyl-oxidophosphanium
CID 176891524
(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid
CID 118658592

Frequently Asked Questions

What is the IUPAC name of (Z)-2,7-diaminooct-4-enedioic acid?
The IUPAC name of (Z)-2,7-diaminooct-4-enedioic acid (CID 90205978) is (Z)-2,7-diaminooct-4-enedioic acid.
What is the SMILES notation for (Z)-2,7-diaminooct-4-enedioic acid?
The canonical SMILES for (Z)-2,7-diaminooct-4-enedioic acid is NC(C/C=C\CC(N)C(=O)O)C(=O)O.
What is the InChIKey of (Z)-2,7-diaminooct-4-enedioic acid?
The InChIKey is BFXNXODAMRCMKX-UPHRSURJSA-N. The full InChI is InChI=1S/C8H14N2O4/c9-5(7(11)12)3-1-2-4-6(10)8(13)14/h1-2,5-6H,3-4,9-10H2,(H,11,12)(H,13,14)/b2-1-.
What are the key properties of (Z)-2,7-diaminooct-4-enedioic acid?
(Z)-2,7-diaminooct-4-enedioic acid has a molecular weight of 202.21 g/mol, XLogP of -0.85, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,7-diaminooct-4-enedioic acid is sourced from PubChem (CID 90205978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).