hydroxy-dimethyl-[2-(2-methylprop-2-enoyloxy)butan-2-yl]azanium

C10H20NO3+ — CID 87307438

IUPAChydroxy-dimethyl-[2-(2-methylprop-2-enoyloxy)butan-2-yl]azanium
SMILESC=C(C)C(=O)OC(C)(CC)[N+](C)(C)O
InChIInChI=1S/C10H20NO3/c1-7-10(4,11(5,6)13)14-9(12)8(2)3/h13H,2,7H2,1,3-6H3/q+1
InChIKeyYWZMZEZRSBPQQG-UHFFFAOYSA-N
MW202.27 g/mol
LogP1.70
Rot. Bonds4

About hydroxy-dimethyl-[2-(2-methylprop-2-enoyloxy)butan-2-yl]azanium

hydroxy-dimethyl-[2-(2-methylprop-2-enoyloxy)butan-2-yl]azanium (PubChem CID 87307438) has the molecular formula C10H20NO3+ and a molecular weight of 202.27 g/mol. Its IUPAC name is hydroxy-dimethyl-[2-(2-methylprop-2-enoyloxy)butan-2-yl]azanium.

Molecular Properties

Compound Namehydroxy-dimethyl-[2-(2-methylprop-2-enoyloxy)butan-2-yl]azanium
PubChem CID87307438
Molecular FormulaC10H20NO3+
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Namehydroxy-dimethyl-[2-(2-methylprop-2-enoyloxy)butan-2-yl]azanium
SMILESC=C(C)C(=O)OC(C)(CC)[N+](C)(C)O
InChIInChI=1S/C10H20NO3/c1-7-10(4,11(5,6)13)14-9(12)8(2)3/h13H,2,7H2,1,3-6H3/q+1
InChIKeyYWZMZEZRSBPQQG-UHFFFAOYSA-N
XLogP1.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
3-methylpent-1-yn-3-yl 2-methylprop-2-enoate
CID 54513206
2-ethoxybutan-2-yl 2-methylprop-2-enoate
CID 175455949
2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate
CID 141014982
(2-methyl-1-methylsulfanylbutan-2-yl) 2-methylprop-2-enoate
CID 20643704
(2-cyano-3-hydroxypent-1-en-3-yl) 2-methylprop-2-enoate
CID 141169453
[2,6-dimethyl-6-(2-methylprop-2-enoyloxy)-4-oxoheptan-2-yl] 2-methylprop-2-enoate
CID 139852007
2,2,4-trimethyl-4-(2-methylprop-2-enoyloxy)pentanoic acid
CID 88579591
5-methylnonan-5-yl 2-methylprop-2-enoate
CID 139896561
(2R)-2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoic acid
CID 97052188
(1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate
CID 20643876
3,3-dimethylpentyl 2-methylprop-2-enoate
CID 20670454

Frequently Asked Questions

What is the IUPAC name of hydroxy-dimethyl-[2-(2-methylprop-2-enoyloxy)butan-2-yl]azanium?
The IUPAC name of hydroxy-dimethyl-[2-(2-methylprop-2-enoyloxy)butan-2-yl]azanium (CID 87307438) is hydroxy-dimethyl-[2-(2-methylprop-2-enoyloxy)butan-2-yl]azanium.
What is the SMILES notation for hydroxy-dimethyl-[2-(2-methylprop-2-enoyloxy)butan-2-yl]azanium?
The canonical SMILES for hydroxy-dimethyl-[2-(2-methylprop-2-enoyloxy)butan-2-yl]azanium is C=C(C)C(=O)OC(C)(CC)[N+](C)(C)O.
What is the InChIKey of hydroxy-dimethyl-[2-(2-methylprop-2-enoyloxy)butan-2-yl]azanium?
The InChIKey is YWZMZEZRSBPQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO3/c1-7-10(4,11(5,6)13)14-9(12)8(2)3/h13H,2,7H2,1,3-6H3/q+1.
What are the key properties of hydroxy-dimethyl-[2-(2-methylprop-2-enoyloxy)butan-2-yl]azanium?
hydroxy-dimethyl-[2-(2-methylprop-2-enoyloxy)butan-2-yl]azanium has a molecular weight of 202.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethyl-[2-(2-methylprop-2-enoyloxy)butan-2-yl]azanium is sourced from PubChem (CID 87307438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).