(3-hydroxy-2-nitrosopropyl) 2-methylprop-2-enoate

C7H11NO4 — CID 89000252

IUPAC(3-hydroxy-2-nitrosopropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CO)N=O
InChIInChI=1S/C7H11NO4/c1-5(2)7(10)12-4-6(3-9)8-11/h6,9H,1,3-4H2,2H3
InChIKeySOIVGXHWLQVNGX-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.23
Rot. Bonds5

About (3-hydroxy-2-nitrosopropyl) 2-methylprop-2-enoate

(3-hydroxy-2-nitrosopropyl) 2-methylprop-2-enoate (PubChem CID 89000252) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is (3-hydroxy-2-nitrosopropyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-hydroxy-2-nitrosopropyl) 2-methylprop-2-enoate
PubChem CID89000252
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name(3-hydroxy-2-nitrosopropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CO)N=O
InChIInChI=1S/C7H11NO4/c1-5(2)7(10)12-4-6(3-9)8-11/h6,9H,1,3-4H2,2H3
InChIKeySOIVGXHWLQVNGX-UHFFFAOYSA-N
XLogP0.23
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethane;(3-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 171797944
2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
CID 87556862
[3-hydroxy-2-(methylamino)propyl] 2-methylprop-2-enoate
CID 147479028
3-(2-methylprop-2-enoyloxy)-2-phosphanylpropanoic acid
CID 141058700
2-(hydroxymethyl)hex-5-enyl 2-methylprop-2-enoate
CID 154601466
ethane-1,2-diol;[3-hydroxy-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 22129264
[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate
CID 58701380
2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655
hydroxymethyl 2-methylprop-2-enoate
CID 159274421
2,3-dihydroxybutyl 2-methylprop-2-enoate
CID 22149440
(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid
CID 24812035
[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 88713969

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-nitrosopropyl) 2-methylprop-2-enoate?
The IUPAC name of (3-hydroxy-2-nitrosopropyl) 2-methylprop-2-enoate (CID 89000252) is (3-hydroxy-2-nitrosopropyl) 2-methylprop-2-enoate.
What is the SMILES notation for (3-hydroxy-2-nitrosopropyl) 2-methylprop-2-enoate?
The canonical SMILES for (3-hydroxy-2-nitrosopropyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CO)N=O.
What is the InChIKey of (3-hydroxy-2-nitrosopropyl) 2-methylprop-2-enoate?
The InChIKey is SOIVGXHWLQVNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-5(2)7(10)12-4-6(3-9)8-11/h6,9H,1,3-4H2,2H3.
What are the key properties of (3-hydroxy-2-nitrosopropyl) 2-methylprop-2-enoate?
(3-hydroxy-2-nitrosopropyl) 2-methylprop-2-enoate has a molecular weight of 173.17 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-nitrosopropyl) 2-methylprop-2-enoate is sourced from PubChem (CID 89000252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).