2-hydroxyacetic acid;N-methylprop-2-enamide

C6H11NO4 — CID 87472265

IUPAC2-hydroxyacetic acid;N-methylprop-2-enamide
SMILESC=CC(=O)NC.O=C(O)CO
InChIInChI=1S/C4H7NO.C2H4O3/c1-3-4(6)5-2;3-1-2(4)5/h3H,1H2,2H3,(H,5,6);3H,1H2,(H,4,5)
InChIKeyNFDUZRAWLHASSQ-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.02
Rot. Bonds2

About 2-hydroxyacetic acid;N-methylprop-2-enamide

2-hydroxyacetic acid;N-methylprop-2-enamide (PubChem CID 87472265) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-hydroxyacetic acid;N-methylprop-2-enamide.

Molecular Properties

Compound Name2-hydroxyacetic acid;N-methylprop-2-enamide
PubChem CID87472265
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2-hydroxyacetic acid;N-methylprop-2-enamide
SMILESC=CC(=O)NC.O=C(O)CO
InChIInChI=1S/C4H7NO.C2H4O3/c1-3-4(6)5-2;3-1-2(4)5/h3H,1H2,2H3,(H,5,6);3H,1H2,(H,4,5)
InChIKeyNFDUZRAWLHASSQ-UHFFFAOYSA-N
XLogP-1.02
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.02
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

methanol;bis(N-methylprop-2-enamide)
CID 175170531
sodium;benzene;hydride;N-methylprop-2-enamide
CID 173390942
but-1-ene;N-methylprop-2-enamide
CID 159446883
acetic acid;guanidine;N-methylprop-2-enamide
CID 174639401
methylphosphonic acid;N-methylprop-2-enamide
CID 160712581
N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride
CID 174712757
2-hydroxyacetic acid;prop-1-ene
CID 19035670
2-hydroxyacetic acid;tris(prop-1-ene)
CID 159374774
diethylalumanylium;N-methylprop-2-enamide;chloride
CID 175303125
N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride
CID 174733111
but-1-ene;N-methylprop-2-enamide;urea
CID 174740802
N,N-dimethylacetamide;N-methylprop-2-enamide
CID 174991436

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetic acid;N-methylprop-2-enamide?
The IUPAC name of 2-hydroxyacetic acid;N-methylprop-2-enamide (CID 87472265) is 2-hydroxyacetic acid;N-methylprop-2-enamide.
What is the SMILES notation for 2-hydroxyacetic acid;N-methylprop-2-enamide?
The canonical SMILES for 2-hydroxyacetic acid;N-methylprop-2-enamide is C=CC(=O)NC.O=C(O)CO.
What is the InChIKey of 2-hydroxyacetic acid;N-methylprop-2-enamide?
The InChIKey is NFDUZRAWLHASSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C2H4O3/c1-3-4(6)5-2;3-1-2(4)5/h3H,1H2,2H3,(H,5,6);3H,1H2,(H,4,5).
What are the key properties of 2-hydroxyacetic acid;N-methylprop-2-enamide?
2-hydroxyacetic acid;N-methylprop-2-enamide has a molecular weight of 161.16 g/mol, XLogP of -1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetic acid;N-methylprop-2-enamide is sourced from PubChem (CID 87472265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).