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

C7H11NO3 — CID 45088534

IUPAC3-[methyl(prop-2-enoyl)amino]propanoic acid
SMILESC=CC(=O)N(C)CCC(=O)O
InChIInChI=1S/C7H11NO3/c1-3-6(9)8(2)5-4-7(10)11/h3H,1,4-5H2,2H3,(H,10,11)
InChIKeyBKGPMRISIFTLAH-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.11
Rot. Bonds4

About 3-[methyl(prop-2-enoyl)amino]propanoic acid

3-[methyl(prop-2-enoyl)amino]propanoic acid (PubChem CID 45088534) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-[methyl(prop-2-enoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(prop-2-enoyl)amino]propanoic acid
PubChem CID45088534
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-[methyl(prop-2-enoyl)amino]propanoic acid
SMILESC=CC(=O)N(C)CCC(=O)O
InChIInChI=1S/C7H11NO3/c1-3-6(9)8(2)5-4-7(10)11/h3H,1,4-5H2,2H3,(H,10,11)
InChIKeyBKGPMRISIFTLAH-UHFFFAOYSA-N
XLogP0.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.11
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 3-[methyl(prop-2-enoyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(prop-2-enoyl)amino]propanoic acid (CID 45088534) is 3-[methyl(prop-2-enoyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(prop-2-enoyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(prop-2-enoyl)amino]propanoic acid is C=CC(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl(prop-2-enoyl)amino]propanoic acid?
The InChIKey is BKGPMRISIFTLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-6(9)8(2)5-4-7(10)11/h3H,1,4-5H2,2H3,(H,10,11).
What are the key properties of 3-[methyl(prop-2-enoyl)amino]propanoic acid?
3-[methyl(prop-2-enoyl)amino]propanoic acid has a molecular weight of 157.17 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(prop-2-enoyl)amino]propanoic acid is sourced from PubChem (CID 45088534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).