(E)-6-aminohex-3-enoic acid

C6H11NO2 — CID 19017972

IUPAC(E)-6-aminohex-3-enoic acid
SMILESNCC/C=C/CC(=O)O
InChIInChI=1S/C6H11NO2/c7-5-3-1-2-4-6(8)9/h1-2H,3-5,7H2,(H,8,9)/b2-1+
InChIKeyRJJVYTAQFWMADM-OWOJBTEDSA-N
MW129.16 g/mol
LogP0.37
Rot. Bonds4

About (E)-6-aminohex-3-enoic acid

(E)-6-aminohex-3-enoic acid (PubChem CID 19017972) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (E)-6-aminohex-3-enoic acid.

Molecular Properties

Compound Name(E)-6-aminohex-3-enoic acid
PubChem CID19017972
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(E)-6-aminohex-3-enoic acid
SMILESNCC/C=C/CC(=O)O
InChIInChI=1S/C6H11NO2/c7-5-3-1-2-4-6(8)9/h1-2H,3-5,7H2,(H,8,9)/b2-1+
InChIKeyRJJVYTAQFWMADM-OWOJBTEDSA-N
XLogP0.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-aminodeca-3,6-dienoic acid
CID 123700269
(Z)-5-aminopent-3-enoic acid;hydrochloride
CID 51051211
(3E)-octa-3,7-dienoic acid
CID 12688314
oct-3-enedioic acid
CID 162155605
octa-3,7-dienoic acid
CID 71318533
(E)-12-aminododec-9-enoic acid
CID 134246838
7-aminonon-3-enedioic acid
CID 175407467
docosa-3,6,9,12,15,18-hexaenoic acid
CID 57358010
(E)-7,7-dimethyloct-3-enoic acid
CID 155169121
(3E)-hexadeca-3,14-dienoic acid
CID 175109549
(3E,9E,17E)-icosa-3,9,17-trienoic acid
CID 166679790
7-hydroxyoct-3-enoic acid
CID 85299253

Frequently Asked Questions

What is the IUPAC name of (E)-6-aminohex-3-enoic acid?
The IUPAC name of (E)-6-aminohex-3-enoic acid (CID 19017972) is (E)-6-aminohex-3-enoic acid.
What is the SMILES notation for (E)-6-aminohex-3-enoic acid?
The canonical SMILES for (E)-6-aminohex-3-enoic acid is NCC/C=C/CC(=O)O.
What is the InChIKey of (E)-6-aminohex-3-enoic acid?
The InChIKey is RJJVYTAQFWMADM-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H11NO2/c7-5-3-1-2-4-6(8)9/h1-2H,3-5,7H2,(H,8,9)/b2-1+.
What are the key properties of (E)-6-aminohex-3-enoic acid?
(E)-6-aminohex-3-enoic acid has a molecular weight of 129.16 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-aminohex-3-enoic acid is sourced from PubChem (CID 19017972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).