methyl 2-hydroxy-2-(prop-2-enoylamino)propanoate

C7H11NO4 — CID 18920614

IUPACmethyl 2-hydroxy-2-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NC(C)(O)C(=O)OC
InChIInChI=1S/C7H11NO4/c1-4-5(9)8-7(2,11)6(10)12-3/h4,11H,1H2,2-3H3,(H,8,9)
InChIKeyFVYJTIIVZZZAFQ-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.83
Rot. Bonds3

About methyl 2-hydroxy-2-(prop-2-enoylamino)propanoate

methyl 2-hydroxy-2-(prop-2-enoylamino)propanoate (PubChem CID 18920614) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(prop-2-enoylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(prop-2-enoylamino)propanoate
PubChem CID18920614
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Namemethyl 2-hydroxy-2-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NC(C)(O)C(=O)OC
InChIInChI=1S/C7H11NO4/c1-4-5(9)8-7(2,11)6(10)12-3/h4,11H,1H2,2-3H3,(H,8,9)
InChIKeyFVYJTIIVZZZAFQ-UHFFFAOYSA-N
XLogP-0.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[1-amino-1-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87509338
N-tert-butylprop-2-enamide;sulfane
CID 158648389
N-(2-hydroxybutan-2-yl)prop-2-enamide
CID 118588252
N-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide
CID 166835322
N-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride
CID 173206543
N-[1,3-dimethoxy-2-(methoxymethyl)propan-2-yl]prop-2-enamide
CID 86215980
N-(1,1,1-trifluoro-2-methylpropan-2-yl)prop-2-enamide
CID 130949338
N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 19357497
2-methyl-2-(prop-2-enoylamino)propanoate
CID 19018280
sodium 2-(prop-2-enoylamino)propan-2-yl sulfite
CID 141350323
N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide
CID 21274347
[2-methyl-2-(prop-2-enoylamino)propyl]sulfonyl 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
CID 154084381

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(prop-2-enoylamino)propanoate?
The IUPAC name of methyl 2-hydroxy-2-(prop-2-enoylamino)propanoate (CID 18920614) is methyl 2-hydroxy-2-(prop-2-enoylamino)propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-(prop-2-enoylamino)propanoate?
The canonical SMILES for methyl 2-hydroxy-2-(prop-2-enoylamino)propanoate is C=CC(=O)NC(C)(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-2-(prop-2-enoylamino)propanoate?
The InChIKey is FVYJTIIVZZZAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-4-5(9)8-7(2,11)6(10)12-3/h4,11H,1H2,2-3H3,(H,8,9).
What are the key properties of methyl 2-hydroxy-2-(prop-2-enoylamino)propanoate?
methyl 2-hydroxy-2-(prop-2-enoylamino)propanoate has a molecular weight of 173.17 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(prop-2-enoylamino)propanoate is sourced from PubChem (CID 18920614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).