4-[methyl(prop-1-en-2-yl)amino]-4-oxobutanoic acid

C8H13NO3 — CID 58091829

IUPAC4-[methyl(prop-1-en-2-yl)amino]-4-oxobutanoic acid
SMILESC=C(C)N(C)C(=O)CCC(=O)O
InChIInChI=1S/C8H13NO3/c1-6(2)9(3)7(10)4-5-8(11)12/h1,4-5H2,2-3H3,(H,11,12)
InChIKeyGIZXQZMJOQPSMW-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.84
Rot. Bonds4

About 4-[methyl(prop-1-en-2-yl)amino]-4-oxobutanoic acid

4-[methyl(prop-1-en-2-yl)amino]-4-oxobutanoic acid (PubChem CID 58091829) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-[methyl(prop-1-en-2-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[methyl(prop-1-en-2-yl)amino]-4-oxobutanoic acid
PubChem CID58091829
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name4-[methyl(prop-1-en-2-yl)amino]-4-oxobutanoic acid
SMILESC=C(C)N(C)C(=O)CCC(=O)O
InChIInChI=1S/C8H13NO3/c1-6(2)9(3)7(10)4-5-8(11)12/h1,4-5H2,2-3H3,(H,11,12)
InChIKeyGIZXQZMJOQPSMW-UHFFFAOYSA-N
XLogP0.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(prop-1-en-2-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[methyl(prop-1-en-2-yl)amino]-4-oxobutanoic acid (CID 58091829) is 4-[methyl(prop-1-en-2-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[methyl(prop-1-en-2-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[methyl(prop-1-en-2-yl)amino]-4-oxobutanoic acid is C=C(C)N(C)C(=O)CCC(=O)O.
What is the InChIKey of 4-[methyl(prop-1-en-2-yl)amino]-4-oxobutanoic acid?
The InChIKey is GIZXQZMJOQPSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6(2)9(3)7(10)4-5-8(11)12/h1,4-5H2,2-3H3,(H,11,12).
What are the key properties of 4-[methyl(prop-1-en-2-yl)amino]-4-oxobutanoic acid?
4-[methyl(prop-1-en-2-yl)amino]-4-oxobutanoic acid has a molecular weight of 171.20 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(prop-1-en-2-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 58091829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).