2-[methyl(prop-2-enoyl)amino]propanoic acid

C7H11NO3 — CID 62626233

IUPAC2-[methyl(prop-2-enoyl)amino]propanoic acid
SMILESC=CC(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C7H11NO3/c1-4-6(9)8(3)5(2)7(10)11/h4-5H,1H2,2-3H3,(H,10,11)
InChIKeyQDQIPLFMPSHKQL-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.10
Rot. Bonds3

About 2-[methyl(prop-2-enoyl)amino]propanoic acid

2-[methyl(prop-2-enoyl)amino]propanoic acid (PubChem CID 62626233) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-[methyl(prop-2-enoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(prop-2-enoyl)amino]propanoic acid
PubChem CID62626233
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-[methyl(prop-2-enoyl)amino]propanoic acid
SMILESC=CC(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C7H11NO3/c1-4-6(9)8(3)5(2)7(10)11/h4-5H,1H2,2-3H3,(H,10,11)
InChIKeyQDQIPLFMPSHKQL-UHFFFAOYSA-N
XLogP0.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.10
H-Bond Donors ≤ 51
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 2-[methyl(prop-2-enoyl)amino]propanoic acid?
The IUPAC name of 2-[methyl(prop-2-enoyl)amino]propanoic acid (CID 62626233) is 2-[methyl(prop-2-enoyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(prop-2-enoyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(prop-2-enoyl)amino]propanoic acid is C=CC(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[methyl(prop-2-enoyl)amino]propanoic acid?
The InChIKey is QDQIPLFMPSHKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4-6(9)8(3)5(2)7(10)11/h4-5H,1H2,2-3H3,(H,10,11).
What are the key properties of 2-[methyl(prop-2-enoyl)amino]propanoic acid?
2-[methyl(prop-2-enoyl)amino]propanoic acid has a molecular weight of 157.17 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(prop-2-enoyl)amino]propanoic acid is sourced from PubChem (CID 62626233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).