[3-hydroxy-2-(methylamino)propyl] 2-methylprop-2-enoate

C8H15NO3 — CID 147479028

IUPAC[3-hydroxy-2-(methylamino)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CO)NC
InChIInChI=1S/C8H15NO3/c1-6(2)8(11)12-5-7(4-10)9-3/h7,9-10H,1,4-5H2,2-3H3
InChIKeyFDGKJIJZVAIZOX-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.31
Rot. Bonds5

About [3-hydroxy-2-(methylamino)propyl] 2-methylprop-2-enoate

[3-hydroxy-2-(methylamino)propyl] 2-methylprop-2-enoate (PubChem CID 147479028) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is [3-hydroxy-2-(methylamino)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-hydroxy-2-(methylamino)propyl] 2-methylprop-2-enoate
PubChem CID147479028
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name[3-hydroxy-2-(methylamino)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CO)NC
InChIInChI=1S/C8H15NO3/c1-6(2)8(11)12-5-7(4-10)9-3/h7,9-10H,1,4-5H2,2-3H3
InChIKeyFDGKJIJZVAIZOX-UHFFFAOYSA-N
XLogP-0.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-nitrosopropyl) 2-methylprop-2-enoate
CID 89000252
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-hydroxy-3-methoxycarbonyloxypropyl) 2-methylprop-2-enoate
CID 139917348
2,3,3-trimethoxypropyl 2-methylprop-2-enoate
CID 123499997
2,2-bis(hydroxymethyl)propane-1,3-diol;[(2R,3S)-2,3,4-tris(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 88603957
(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid
CID 24812035
2,3-dihydroxybutyl 2-methylprop-2-enoate
CID 22149440

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-2-(methylamino)propyl] 2-methylprop-2-enoate?
The IUPAC name of [3-hydroxy-2-(methylamino)propyl] 2-methylprop-2-enoate (CID 147479028) is [3-hydroxy-2-(methylamino)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-hydroxy-2-(methylamino)propyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-hydroxy-2-(methylamino)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CO)NC.
What is the InChIKey of [3-hydroxy-2-(methylamino)propyl] 2-methylprop-2-enoate?
The InChIKey is FDGKJIJZVAIZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(2)8(11)12-5-7(4-10)9-3/h7,9-10H,1,4-5H2,2-3H3.
What are the key properties of [3-hydroxy-2-(methylamino)propyl] 2-methylprop-2-enoate?
[3-hydroxy-2-(methylamino)propyl] 2-methylprop-2-enoate has a molecular weight of 173.21 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-2-(methylamino)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 147479028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).