2-hydroxy-2-methyl-3-(prop-2-enoylamino)propanoic acid

C7H11NO4 — CID 66172140

IUPAC2-hydroxy-2-methyl-3-(prop-2-enoylamino)propanoic acid
SMILESC=CC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C7H11NO4/c1-3-5(9)8-4-7(2,12)6(10)11/h3,12H,1,4H2,2H3,(H,8,9)(H,10,11)
InChIKeyAMCUDCOCFXDQLM-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.88
Rot. Bonds4

About 2-hydroxy-2-methyl-3-(prop-2-enoylamino)propanoic acid

2-hydroxy-2-methyl-3-(prop-2-enoylamino)propanoic acid (PubChem CID 66172140) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(prop-2-enoylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(prop-2-enoylamino)propanoic acid
PubChem CID66172140
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name2-hydroxy-2-methyl-3-(prop-2-enoylamino)propanoic acid
SMILESC=CC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C7H11NO4/c1-3-5(9)8-4-7(2,12)6(10)11/h3,12H,1,4H2,2H3,(H,8,9)(H,10,11)
InChIKeyAMCUDCOCFXDQLM-UHFFFAOYSA-N
XLogP-0.88
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-hydroxy-2-methyl-3-(prop-2-enoylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(prop-2-enoylamino)propanoic acid (CID 66172140) is 2-hydroxy-2-methyl-3-(prop-2-enoylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(prop-2-enoylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(prop-2-enoylamino)propanoic acid is C=CC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(prop-2-enoylamino)propanoic acid?
The InChIKey is AMCUDCOCFXDQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-3-5(9)8-4-7(2,12)6(10)11/h3,12H,1,4H2,2H3,(H,8,9)(H,10,11).
What are the key properties of 2-hydroxy-2-methyl-3-(prop-2-enoylamino)propanoic acid?
2-hydroxy-2-methyl-3-(prop-2-enoylamino)propanoic acid has a molecular weight of 173.17 g/mol, XLogP of -0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(prop-2-enoylamino)propanoic acid is sourced from PubChem (CID 66172140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).