(Z)-2-methyl-4-(3-methylbutan-2-ylamino)but-2-enoic acid

C10H19NO2 — CID 103230400

IUPAC(Z)-2-methyl-4-(3-methylbutan-2-ylamino)but-2-enoic acid
SMILESC/C(=C/CNC(C)C(C)C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-7(2)9(4)11-6-5-8(3)10(12)13/h5,7,9,11H,6H2,1-4H3,(H,12,13)/b8-5-
InChIKeyOJYRQVBKYVYAEJ-YVMONPNESA-N
MW185.27 g/mol
LogP1.65
Rot. Bonds5

About (Z)-2-methyl-4-(3-methylbutan-2-ylamino)but-2-enoic acid

(Z)-2-methyl-4-(3-methylbutan-2-ylamino)but-2-enoic acid (PubChem CID 103230400) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (Z)-2-methyl-4-(3-methylbutan-2-ylamino)but-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-methyl-4-(3-methylbutan-2-ylamino)but-2-enoic acid
PubChem CID103230400
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(Z)-2-methyl-4-(3-methylbutan-2-ylamino)but-2-enoic acid
SMILESC/C(=C/CNC(C)C(C)C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-7(2)9(4)11-6-5-8(3)10(12)13/h5,7,9,11H,6H2,1-4H3,(H,12,13)/b8-5-
InChIKeyOJYRQVBKYVYAEJ-YVMONPNESA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.65
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-4-(3-methylbutan-2-ylamino)but-2-enoic acid?
The IUPAC name of (Z)-2-methyl-4-(3-methylbutan-2-ylamino)but-2-enoic acid (CID 103230400) is (Z)-2-methyl-4-(3-methylbutan-2-ylamino)but-2-enoic acid.
What is the SMILES notation for (Z)-2-methyl-4-(3-methylbutan-2-ylamino)but-2-enoic acid?
The canonical SMILES for (Z)-2-methyl-4-(3-methylbutan-2-ylamino)but-2-enoic acid is C/C(=C/CNC(C)C(C)C)C(=O)O.
What is the InChIKey of (Z)-2-methyl-4-(3-methylbutan-2-ylamino)but-2-enoic acid?
The InChIKey is OJYRQVBKYVYAEJ-YVMONPNESA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)9(4)11-6-5-8(3)10(12)13/h5,7,9,11H,6H2,1-4H3,(H,12,13)/b8-5-.
What are the key properties of (Z)-2-methyl-4-(3-methylbutan-2-ylamino)but-2-enoic acid?
(Z)-2-methyl-4-(3-methylbutan-2-ylamino)but-2-enoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-4-(3-methylbutan-2-ylamino)but-2-enoic acid is sourced from PubChem (CID 103230400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).