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

C6H9NO4 — CID 10176248

IUPAC3-hydroxy-2-(prop-2-enoylamino)propanoic acid
SMILESC=CC(=O)NC(CO)C(=O)O
InChIInChI=1S/C6H9NO4/c1-2-5(9)7-4(3-8)6(10)11/h2,4,8H,1,3H2,(H,7,9)(H,10,11)
InChIKeyWSCDWTSHFZEGGL-UHFFFAOYSA-N
MW159.14 g/mol
LogP-1.27
Rot. Bonds4

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

3-hydroxy-2-(prop-2-enoylamino)propanoic acid (PubChem CID 10176248) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 3-hydroxy-2-(prop-2-enoylamino)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(prop-2-enoylamino)propanoic acid
PubChem CID10176248
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name3-hydroxy-2-(prop-2-enoylamino)propanoic acid
SMILESC=CC(=O)NC(CO)C(=O)O
InChIInChI=1S/C6H9NO4/c1-2-5(9)7-4(3-8)6(10)11/h2,4,8H,1,3H2,(H,7,9)(H,10,11)
InChIKeyWSCDWTSHFZEGGL-UHFFFAOYSA-N
XLogP-1.27
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-1.27
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

Acetylserine
CID 65249
N-Acetyl-DL-serine
CID 352294
N-acryloyl-L-alanine
CID 10419296
n-Acryloylalanine
CID 240000
N-Methacryloyl-L-serine
CID 54029464
N-Acetyl-d-serine
CID 10844522
N-acryloyl serine methyl ester
CID 10844941
N-acryloyl-l-threonine
CID 22870977
N-Acryloyl-L-serine
CID 28173751
Acryl homoserine
CID 107822079
N-acetylserine-d3
CID 142386424
N-Acryloyl-D-threonine
CID 139592594

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(prop-2-enoylamino)propanoic acid?
The IUPAC name of 3-hydroxy-2-(prop-2-enoylamino)propanoic acid (CID 10176248) is 3-hydroxy-2-(prop-2-enoylamino)propanoic acid.
What is the SMILES notation for 3-hydroxy-2-(prop-2-enoylamino)propanoic acid?
The canonical SMILES for 3-hydroxy-2-(prop-2-enoylamino)propanoic acid is C=CC(=O)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-(prop-2-enoylamino)propanoic acid?
The InChIKey is WSCDWTSHFZEGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-2-5(9)7-4(3-8)6(10)11/h2,4,8H,1,3H2,(H,7,9)(H,10,11).
What are the key properties of 3-hydroxy-2-(prop-2-enoylamino)propanoic acid?
3-hydroxy-2-(prop-2-enoylamino)propanoic acid has a molecular weight of 159.14 g/mol, XLogP of -1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(prop-2-enoylamino)propanoic acid is sourced from PubChem (CID 10176248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).