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

C10H17NO4 — CID 77113964

IUPAC2-hydroxy-2-methyl-3-(2-methylpent-2-enoylamino)propanoic acid
SMILESCCC=C(C)C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C10H17NO4/c1-4-5-7(2)8(12)11-6-10(3,15)9(13)14/h5,15H,4,6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyLHYZFAOUWSRJSD-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.29
Rot. Bonds5

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

2-hydroxy-2-methyl-3-(2-methylpent-2-enoylamino)propanoic acid (PubChem CID 77113964) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(2-methylpent-2-enoylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(2-methylpent-2-enoylamino)propanoic acid
PubChem CID77113964
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-hydroxy-2-methyl-3-(2-methylpent-2-enoylamino)propanoic acid
SMILESCCC=C(C)C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C10H17NO4/c1-4-5-7(2)8(12)11-6-10(3,15)9(13)14/h5,15H,4,6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyLHYZFAOUWSRJSD-UHFFFAOYSA-N
XLogP0.29
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.29
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-(2-methylpent-2-enoylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(2-methylpent-2-enoylamino)propanoic acid (CID 77113964) is 2-hydroxy-2-methyl-3-(2-methylpent-2-enoylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(2-methylpent-2-enoylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(2-methylpent-2-enoylamino)propanoic acid is CCC=C(C)C(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(2-methylpent-2-enoylamino)propanoic acid?
The InChIKey is LHYZFAOUWSRJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-5-7(2)8(12)11-6-10(3,15)9(13)14/h5,15H,4,6H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-hydroxy-2-methyl-3-(2-methylpent-2-enoylamino)propanoic acid?
2-hydroxy-2-methyl-3-(2-methylpent-2-enoylamino)propanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.29, 5 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-(2-methylpent-2-enoylamino)propanoic acid is sourced from PubChem (CID 77113964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).