2-hydroxy-2-(2-methylprop-2-enoylamino)acetic acid

C6H9NO4 — CID 18937473

IUPAC2-hydroxy-2-(2-methylprop-2-enoylamino)acetic acid
SMILESC=C(C)C(=O)NC(O)C(=O)O
InChIInChI=1S/C6H9NO4/c1-3(2)4(8)7-5(9)6(10)11/h5,9H,1H2,2H3,(H,7,8)(H,10,11)
InChIKeyBMCSBVHAGWUAQR-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.92
Rot. Bonds3

About 2-hydroxy-2-(2-methylprop-2-enoylamino)acetic acid

2-hydroxy-2-(2-methylprop-2-enoylamino)acetic acid (PubChem CID 18937473) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-hydroxy-2-(2-methylprop-2-enoylamino)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(2-methylprop-2-enoylamino)acetic acid
PubChem CID18937473
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name2-hydroxy-2-(2-methylprop-2-enoylamino)acetic acid
SMILESC=C(C)C(=O)NC(O)C(=O)O
InChIInChI=1S/C6H9NO4/c1-3(2)4(8)7-5(9)6(10)11/h5,9H,1H2,2H3,(H,7,8)(H,10,11)
InChIKeyBMCSBVHAGWUAQR-UHFFFAOYSA-N
XLogP-0.92
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-methylprop-2-enoylamino)acetic acid?
The IUPAC name of 2-hydroxy-2-(2-methylprop-2-enoylamino)acetic acid (CID 18937473) is 2-hydroxy-2-(2-methylprop-2-enoylamino)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(2-methylprop-2-enoylamino)acetic acid?
The canonical SMILES for 2-hydroxy-2-(2-methylprop-2-enoylamino)acetic acid is C=C(C)C(=O)NC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-(2-methylprop-2-enoylamino)acetic acid?
The InChIKey is BMCSBVHAGWUAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-3(2)4(8)7-5(9)6(10)11/h5,9H,1H2,2H3,(H,7,8)(H,10,11).
What are the key properties of 2-hydroxy-2-(2-methylprop-2-enoylamino)acetic acid?
2-hydroxy-2-(2-methylprop-2-enoylamino)acetic acid has a molecular weight of 159.14 g/mol, XLogP of -0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-methylprop-2-enoylamino)acetic acid is sourced from PubChem (CID 18937473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).