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

C6H9NO4 — CID 66165778

IUPAC2-hydroxy-3-(prop-2-enoylamino)propanoic acid
SMILESC=CC(=O)NCC(O)C(=O)O
InChIInChI=1S/C6H9NO4/c1-2-5(9)7-3-4(8)6(10)11/h2,4,8H,1,3H2,(H,7,9)(H,10,11)
InChIKeyYMZCWULHKDMYEV-UHFFFAOYSA-N
MW159.14 g/mol
LogP-1.27
Rot. Bonds4

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

2-hydroxy-3-(prop-2-enoylamino)propanoic acid (PubChem CID 66165778) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-hydroxy-3-(prop-2-enoylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(prop-2-enoylamino)propanoic acid
PubChem CID66165778
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name2-hydroxy-3-(prop-2-enoylamino)propanoic acid
SMILESC=CC(=O)NCC(O)C(=O)O
InChIInChI=1S/C6H9NO4/c1-2-5(9)7-3-4(8)6(10)11/h2,4,8H,1,3H2,(H,7,9)(H,10,11)
InChIKeyYMZCWULHKDMYEV-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

3-[[(E)-3-hydroxyprop-2-enoyl]amino]propanoic acid
CID 129012090
Methyl 2-hydroxy-3-(prop-2-enoylamino)propanoate
CID 18544902
N-(2,3-dihydroxypropyl)prop-2-enamide
CID 21721275
3-Acetamido-2-hydroxypropanoic acid
CID 22996099
(2S)-3-acetamido-2-hydroxypropanoic acid
CID 53755804
4-(2,3-Dihydroxypropylamino)-4-oxobut-2-enoic acid
CID 77114127
2-hydroxypropanoic acid;N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 87094043
N-(2-hydroxyethyl)-2-methylprop-2-enamide;2-hydroxypropanoic acid
CID 87097365
N-(2-hydroxyethyl)prop-2-enamide;2-hydroxypropanoic acid
CID 87097475
2-(Prop-2-enoylamino)ethyl 2-hydroxypropanoate
CID 87097476
N-(3-hydroxybutyl)prop-2-enamide;2-hydroxypropanoic acid
CID 87132672
(2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propanoic acid
CID 87954060

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(prop-2-enoylamino)propanoic acid?
The IUPAC name of 2-hydroxy-3-(prop-2-enoylamino)propanoic acid (CID 66165778) is 2-hydroxy-3-(prop-2-enoylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(prop-2-enoylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(prop-2-enoylamino)propanoic acid is C=CC(=O)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-(prop-2-enoylamino)propanoic acid?
The InChIKey is YMZCWULHKDMYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-2-5(9)7-3-4(8)6(10)11/h2,4,8H,1,3H2,(H,7,9)(H,10,11).
What are the key properties of 2-hydroxy-3-(prop-2-enoylamino)propanoic acid?
2-hydroxy-3-(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 2-hydroxy-3-(prop-2-enoylamino)propanoic acid is sourced from PubChem (CID 66165778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).