(Z)-2-(methylamino)-4-prop-2-enylhept-5-enoic acid

C11H19NO2 — CID 145135055

IUPAC(Z)-2-(methylamino)-4-prop-2-enylhept-5-enoic acid
SMILESC=CCC(/C=C\C)CC(NC)C(=O)O
InChIInChI=1S/C11H19NO2/c1-4-6-9(7-5-2)8-10(12-3)11(13)14/h4-5,7,9-10,12H,1,6,8H2,2-3H3,(H,13,14)/b7-5-
InChIKeyGNHQFUDPXPTGGT-ALCCZGGFSA-N
MW197.28 g/mol
LogP1.82
Rot. Bonds7

About (Z)-2-(methylamino)-4-prop-2-enylhept-5-enoic acid

(Z)-2-(methylamino)-4-prop-2-enylhept-5-enoic acid (PubChem CID 145135055) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (Z)-2-(methylamino)-4-prop-2-enylhept-5-enoic acid.

Molecular Properties

Compound Name(Z)-2-(methylamino)-4-prop-2-enylhept-5-enoic acid
PubChem CID145135055
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(Z)-2-(methylamino)-4-prop-2-enylhept-5-enoic acid
SMILESC=CCC(/C=C\C)CC(NC)C(=O)O
InChIInChI=1S/C11H19NO2/c1-4-6-9(7-5-2)8-10(12-3)11(13)14/h4-5,7,9-10,12H,1,6,8H2,2-3H3,(H,13,14)/b7-5-
InChIKeyGNHQFUDPXPTGGT-ALCCZGGFSA-N
XLogP1.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(methylamino)-4-prop-2-enylhept-5-enoic acid?
The IUPAC name of (Z)-2-(methylamino)-4-prop-2-enylhept-5-enoic acid (CID 145135055) is (Z)-2-(methylamino)-4-prop-2-enylhept-5-enoic acid.
What is the SMILES notation for (Z)-2-(methylamino)-4-prop-2-enylhept-5-enoic acid?
The canonical SMILES for (Z)-2-(methylamino)-4-prop-2-enylhept-5-enoic acid is C=CCC(/C=C\C)CC(NC)C(=O)O.
What is the InChIKey of (Z)-2-(methylamino)-4-prop-2-enylhept-5-enoic acid?
The InChIKey is GNHQFUDPXPTGGT-ALCCZGGFSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-6-9(7-5-2)8-10(12-3)11(13)14/h4-5,7,9-10,12H,1,6,8H2,2-3H3,(H,13,14)/b7-5-.
What are the key properties of (Z)-2-(methylamino)-4-prop-2-enylhept-5-enoic acid?
(Z)-2-(methylamino)-4-prop-2-enylhept-5-enoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(methylamino)-4-prop-2-enylhept-5-enoic acid is sourced from PubChem (CID 145135055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).