(Z)-4-amino-2-methyliminohex-3-enoic acid

C7H12N2O2 — CID 145463357

IUPAC(Z)-4-amino-2-methyliminohex-3-enoic acid
SMILESCC/C(N)=C/C(=N/C)C(=O)O
InChIInChI=1S/C7H12N2O2/c1-3-5(8)4-6(9-2)7(10)11/h4H,3,8H2,1-2H3,(H,10,11)/b5-4-,9-6-
InChIKeyQQDKWHJAKFVJMR-WXOLFVLTSA-N
MW156.18 g/mol
LogP0.39
Rot. Bonds3

About (Z)-4-amino-2-methyliminohex-3-enoic acid

(Z)-4-amino-2-methyliminohex-3-enoic acid (PubChem CID 145463357) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is (Z)-4-amino-2-methyliminohex-3-enoic acid.

Molecular Properties

Compound Name(Z)-4-amino-2-methyliminohex-3-enoic acid
PubChem CID145463357
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name(Z)-4-amino-2-methyliminohex-3-enoic acid
SMILESCC/C(N)=C/C(=N/C)C(=O)O
InChIInChI=1S/C7H12N2O2/c1-3-5(8)4-6(9-2)7(10)11/h4H,3,8H2,1-2H3,(H,10,11)/b5-4-,9-6-
InChIKeyQQDKWHJAKFVJMR-WXOLFVLTSA-N
XLogP0.39
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-5-methyliminohex-3-en-3-amine
CID 171096126
(Z)-3-aminopent-2-enoic acid
CID 21472497
(E)-4-amino-4-(2-fluoroethoxy)-2-methyliminobut-3-enoic acid
CID 170790928
4-aminohex-3-en-2-one
CID 57357968
4-acetyl-2-methyliminohept-3-enoic acid
CID 123795139
(Z)-2-methyliminohex-3-enoic acid
CID 143547971
(Z)-5-aminohept-4-en-3-one;(Z)-but-2-ene
CID 178015163
propanoic acid;urea
CID 22102181
(Z)-2-amino-4-(diaminomethylidene)hex-2-enoic acid
CID 146638174
(1E,3Z)-2,4-diaminohexa-1,3-diene-1-thiol
CID 146393049
(Z)-1-methyliminopent-2-en-3-amine
CID 129017150
ethyl 4-chloro-2-methyliminopent-3-enoate
CID 123813090

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-2-methyliminohex-3-enoic acid?
The IUPAC name of (Z)-4-amino-2-methyliminohex-3-enoic acid (CID 145463357) is (Z)-4-amino-2-methyliminohex-3-enoic acid.
What is the SMILES notation for (Z)-4-amino-2-methyliminohex-3-enoic acid?
The canonical SMILES for (Z)-4-amino-2-methyliminohex-3-enoic acid is CC/C(N)=C/C(=N/C)C(=O)O.
What is the InChIKey of (Z)-4-amino-2-methyliminohex-3-enoic acid?
The InChIKey is QQDKWHJAKFVJMR-WXOLFVLTSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-5(8)4-6(9-2)7(10)11/h4H,3,8H2,1-2H3,(H,10,11)/b5-4-,9-6-.
What are the key properties of (Z)-4-amino-2-methyliminohex-3-enoic acid?
(Z)-4-amino-2-methyliminohex-3-enoic acid has a molecular weight of 156.18 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-2-methyliminohex-3-enoic acid is sourced from PubChem (CID 145463357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).