2-methyl-N-(1,2,3-trihydroxypropan-2-yl)prop-2-enamide

C7H13NO4 — CID 19428817

IUPAC2-methyl-N-(1,2,3-trihydroxypropan-2-yl)prop-2-enamide
SMILESC=C(C)C(=O)NC(O)(CO)CO
InChIInChI=1S/C7H13NO4/c1-5(2)6(11)8-7(12,3-9)4-10/h9-10,12H,1,3-4H2,2H3,(H,8,11)
InChIKeyPNPHMLDDTVMSBG-UHFFFAOYSA-N
MW175.18 g/mol
LogP-1.65
Rot. Bonds4

About 2-methyl-N-(1,2,3-trihydroxypropan-2-yl)prop-2-enamide

2-methyl-N-(1,2,3-trihydroxypropan-2-yl)prop-2-enamide (PubChem CID 19428817) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-methyl-N-(1,2,3-trihydroxypropan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(1,2,3-trihydroxypropan-2-yl)prop-2-enamide
PubChem CID19428817
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2-methyl-N-(1,2,3-trihydroxypropan-2-yl)prop-2-enamide
SMILESC=C(C)C(=O)NC(O)(CO)CO
InChIInChI=1S/C7H13NO4/c1-5(2)6(11)8-7(12,3-9)4-10/h9-10,12H,1,3-4H2,2H3,(H,8,11)
InChIKeyPNPHMLDDTVMSBG-UHFFFAOYSA-N
XLogP-1.65
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
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

2-Propenamide, N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-2-methyl-
CID 6452178
N-(1-Hydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide
CID 19357498
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide
CID 19357482
N-(1,2,3-trihydroxypropan-2-yl)prop-2-enamide
CID 21657095
N-(1,2,3-trihydroxybutan-2-yl)prop-2-enamide
CID 87232453
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;ethenol
CID 87282894
N-(1,2-dihydroxypropan-2-yl)-2-methylprop-2-enamide
CID 140764494
2,3-Dihydroxy-2-(2-methylprop-2-enoylamino)propanoic acid
CID 150718291
2-methyl-N-(1,2,3-trihydroxypropan-2-yl)but-2-enamide
CID 173289792

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2,3-trihydroxypropan-2-yl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(1,2,3-trihydroxypropan-2-yl)prop-2-enamide (CID 19428817) is 2-methyl-N-(1,2,3-trihydroxypropan-2-yl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(1,2,3-trihydroxypropan-2-yl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(1,2,3-trihydroxypropan-2-yl)prop-2-enamide is C=C(C)C(=O)NC(O)(CO)CO.
What is the InChIKey of 2-methyl-N-(1,2,3-trihydroxypropan-2-yl)prop-2-enamide?
The InChIKey is PNPHMLDDTVMSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-5(2)6(11)8-7(12,3-9)4-10/h9-10,12H,1,3-4H2,2H3,(H,8,11).
What are the key properties of 2-methyl-N-(1,2,3-trihydroxypropan-2-yl)prop-2-enamide?
2-methyl-N-(1,2,3-trihydroxypropan-2-yl)prop-2-enamide has a molecular weight of 175.18 g/mol, XLogP of -1.65, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,3-trihydroxypropan-2-yl)prop-2-enamide is sourced from PubChem (CID 19428817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).