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

C6H9NO3 — CID 19028675

IUPAC2-[methyl(prop-2-enoyl)amino]acetic acid
SMILESC=CC(=O)N(C)CC(=O)O
InChIInChI=1S/C6H9NO3/c1-3-5(8)7(2)4-6(9)10/h3H,1,4H2,2H3,(H,9,10)
InChIKeyOBXSAUMTBVIHRA-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.28
Rot. Bonds3

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

2-[methyl(prop-2-enoyl)amino]acetic acid (PubChem CID 19028675) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-[methyl(prop-2-enoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(prop-2-enoyl)amino]acetic acid
PubChem CID19028675
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-[methyl(prop-2-enoyl)amino]acetic acid
SMILESC=CC(=O)N(C)CC(=O)O
InChIInChI=1S/C6H9NO3/c1-3-5(8)7(2)4-6(9)10/h3H,1,4H2,2H3,(H,9,10)
InChIKeyOBXSAUMTBVIHRA-UHFFFAOYSA-N
XLogP-0.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.28
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]acetic acid?
The IUPAC name of 2-[methyl(prop-2-enoyl)amino]acetic acid (CID 19028675) is 2-[methyl(prop-2-enoyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(prop-2-enoyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(prop-2-enoyl)amino]acetic acid is C=CC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl(prop-2-enoyl)amino]acetic acid?
The InChIKey is OBXSAUMTBVIHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-3-5(8)7(2)4-6(9)10/h3H,1,4H2,2H3,(H,9,10).
What are the key properties of 2-[methyl(prop-2-enoyl)amino]acetic acid?
2-[methyl(prop-2-enoyl)amino]acetic acid has a molecular weight of 143.14 g/mol, XLogP of -0.28, 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]acetic acid is sourced from PubChem (CID 19028675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).