(E)-6-amino-6-oxohex-4-enoic acid

C6H9NO3 — CID 15250668

IUPAC(E)-6-amino-6-oxohex-4-enoic acid
SMILESNC(=O)/C=C/CCC(=O)O
InChIInChI=1S/C6H9NO3/c7-5(8)3-1-2-4-6(9)10/h1,3H,2,4H2,(H2,7,8)(H,9,10)/b3-1+
InChIKeyDBMSNQNCOOZPNH-HNQUOIGGSA-N
MW143.14 g/mol
LogP-0.11
Rot. Bonds4

About (E)-6-amino-6-oxohex-4-enoic acid

(E)-6-amino-6-oxohex-4-enoic acid (PubChem CID 15250668) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (E)-6-amino-6-oxohex-4-enoic acid.

Molecular Properties

Compound Name(E)-6-amino-6-oxohex-4-enoic acid
PubChem CID15250668
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(E)-6-amino-6-oxohex-4-enoic acid
SMILESNC(=O)/C=C/CCC(=O)O
InChIInChI=1S/C6H9NO3/c7-5(8)3-1-2-4-6(9)10/h1,3H,2,4H2,(H2,7,8)(H,9,10)/b3-1+
InChIKeyDBMSNQNCOOZPNH-HNQUOIGGSA-N
XLogP-0.11
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-12-amino-12-oxododec-10-enoic acid
CID 87055158
3-hydroxyocta-2,6-dienediamide
CID 173137531
(4E,8E)-dodeca-4,8-dienedioic acid
CID 6537917
buta-1,3-diene;hex-2-enedioic acid
CID 88804765
(E)-hex-2-enamide;hydrochloride
CID 141291310
(E)-7-methyl-6-oxooct-4-enoic acid
CID 176584292
5-fluoropent-4-enoic acid
CID 173120467
(E)-7-oxohept-2-enamide
CID 153402792
(E)-8-aminooct-4-enoic acid
CID 6365538
octa-2,7-dienamide
CID 166513974
(2Z)-nona-2,6-dienamide
CID 87394391
hept-2-enamide;dihydrochloride
CID 142841404

Frequently Asked Questions

What is the IUPAC name of (E)-6-amino-6-oxohex-4-enoic acid?
The IUPAC name of (E)-6-amino-6-oxohex-4-enoic acid (CID 15250668) is (E)-6-amino-6-oxohex-4-enoic acid.
What is the SMILES notation for (E)-6-amino-6-oxohex-4-enoic acid?
The canonical SMILES for (E)-6-amino-6-oxohex-4-enoic acid is NC(=O)/C=C/CCC(=O)O.
What is the InChIKey of (E)-6-amino-6-oxohex-4-enoic acid?
The InChIKey is DBMSNQNCOOZPNH-HNQUOIGGSA-N. The full InChI is InChI=1S/C6H9NO3/c7-5(8)3-1-2-4-6(9)10/h1,3H,2,4H2,(H2,7,8)(H,9,10)/b3-1+.
What are the key properties of (E)-6-amino-6-oxohex-4-enoic acid?
(E)-6-amino-6-oxohex-4-enoic acid has a molecular weight of 143.14 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-amino-6-oxohex-4-enoic acid is sourced from PubChem (CID 15250668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).