N-[(1R)-1-hydroxy-2,2-dimethoxyethyl]prop-2-enamide

C7H13NO4 — CID 40501200

IUPACN-[(1R)-1-hydroxy-2,2-dimethoxyethyl]prop-2-enamide
SMILESC=CC(=O)N[C@H](O)C(OC)OC
InChIInChI=1S/C7H13NO4/c1-4-5(9)8-6(10)7(11-2)12-3/h4,6-7,10H,1H2,2-3H3,(H,8,9)/t6-/m1/s1
InChIKeyXWQDTJROXGIDKW-ZCFIWIBFSA-N
MW175.18 g/mol
LogP-0.77
Rot. Bonds5

About N-[(1R)-1-hydroxy-2,2-dimethoxyethyl]prop-2-enamide

N-[(1R)-1-hydroxy-2,2-dimethoxyethyl]prop-2-enamide (PubChem CID 40501200) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is N-[(1R)-1-hydroxy-2,2-dimethoxyethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(1R)-1-hydroxy-2,2-dimethoxyethyl]prop-2-enamide
PubChem CID40501200
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC NameN-[(1R)-1-hydroxy-2,2-dimethoxyethyl]prop-2-enamide
SMILESC=CC(=O)N[C@H](O)C(OC)OC
InChIInChI=1S/C7H13NO4/c1-4-5(9)8-6(10)7(11-2)12-3/h4,6-7,10H,1H2,2-3H3,(H,8,9)/t6-/m1/s1
InChIKeyXWQDTJROXGIDKW-ZCFIWIBFSA-N
XLogP-0.77
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.77
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'}

Analyze N-[(1R)-1-hydroxy-2,2-dimethoxyethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-hydroxy-2,2-dimethoxyethyl]prop-2-enamide?
The IUPAC name of N-[(1R)-1-hydroxy-2,2-dimethoxyethyl]prop-2-enamide (CID 40501200) is N-[(1R)-1-hydroxy-2,2-dimethoxyethyl]prop-2-enamide.
What is the SMILES notation for N-[(1R)-1-hydroxy-2,2-dimethoxyethyl]prop-2-enamide?
The canonical SMILES for N-[(1R)-1-hydroxy-2,2-dimethoxyethyl]prop-2-enamide is C=CC(=O)N[C@H](O)C(OC)OC.
What is the InChIKey of N-[(1R)-1-hydroxy-2,2-dimethoxyethyl]prop-2-enamide?
The InChIKey is XWQDTJROXGIDKW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NO4/c1-4-5(9)8-6(10)7(11-2)12-3/h4,6-7,10H,1H2,2-3H3,(H,8,9)/t6-/m1/s1.
What are the key properties of N-[(1R)-1-hydroxy-2,2-dimethoxyethyl]prop-2-enamide?
N-[(1R)-1-hydroxy-2,2-dimethoxyethyl]prop-2-enamide has a molecular weight of 175.18 g/mol, XLogP of -0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-hydroxy-2,2-dimethoxyethyl]prop-2-enamide is sourced from PubChem (CID 40501200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).