3-hydroxy-2-(2-methylprop-2-enoylamino)propanoic acid

C7H11NO4 — CID 10154250

IUPAC3-hydroxy-2-(2-methylprop-2-enoylamino)propanoic acid
SMILESC=C(C)C(=O)NC(CO)C(=O)O
InChIInChI=1S/C7H11NO4/c1-4(2)6(10)8-5(3-9)7(11)12/h5,9H,1,3H2,2H3,(H,8,10)(H,11,12)
InChIKeyLENNEKIRYSQQJD-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.88
Rot. Bonds4

About 3-hydroxy-2-(2-methylprop-2-enoylamino)propanoic acid

3-hydroxy-2-(2-methylprop-2-enoylamino)propanoic acid (PubChem CID 10154250) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-hydroxy-2-(2-methylprop-2-enoylamino)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(2-methylprop-2-enoylamino)propanoic acid
PubChem CID10154250
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name3-hydroxy-2-(2-methylprop-2-enoylamino)propanoic acid
SMILESC=C(C)C(=O)NC(CO)C(=O)O
InChIInChI=1S/C7H11NO4/c1-4(2)6(10)8-5(3-9)7(11)12/h5,9H,1,3H2,2H3,(H,8,10)(H,11,12)
InChIKeyLENNEKIRYSQQJD-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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Related Compounds

(2S)-3-hydroxy-2-(2-methylpropanamido)propanoic acid
CID 29908573
N-Methacryloyl-L-serine
CID 54029464
N-acryloyl serine methyl ester
CID 10844941
N-(1,3-dihydroxypropan-2-yl) methacrylamide
CID 20603690
N-Methacryloylalanine
CID 22826844
N-acryloyl-l-threonine
CID 22870977
N-Acryloyl-L-serine
CID 28173751
2-(2-Methylprop-2-enoylamino)propanoic acid
CID 324197
N-propionyl-d-serine
CID 129660923
N-Acryloyl-D-threonine
CID 139592594
3-Hydroxy-2-(prop-2-enoylamino)propanoic acid
CID 10176248
3-Hydroxy-2-(propanoylamino)propanoic acid
CID 11845678

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-methylprop-2-enoylamino)propanoic acid?
The IUPAC name of 3-hydroxy-2-(2-methylprop-2-enoylamino)propanoic acid (CID 10154250) is 3-hydroxy-2-(2-methylprop-2-enoylamino)propanoic acid.
What is the SMILES notation for 3-hydroxy-2-(2-methylprop-2-enoylamino)propanoic acid?
The canonical SMILES for 3-hydroxy-2-(2-methylprop-2-enoylamino)propanoic acid is C=C(C)C(=O)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-(2-methylprop-2-enoylamino)propanoic acid?
The InChIKey is LENNEKIRYSQQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-4(2)6(10)8-5(3-9)7(11)12/h5,9H,1,3H2,2H3,(H,8,10)(H,11,12).
What are the key properties of 3-hydroxy-2-(2-methylprop-2-enoylamino)propanoic acid?
3-hydroxy-2-(2-methylprop-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 3-hydroxy-2-(2-methylprop-2-enoylamino)propanoic acid is sourced from PubChem (CID 10154250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).