carboxymethyl-dimethyl-(1-prop-2-enoyloxypropan-2-yl)azanium

C10H18NO4+ — CID 90396677

IUPACcarboxymethyl-dimethyl-(1-prop-2-enoyloxypropan-2-yl)azanium
SMILESC=CC(=O)OCC(C)[N+](C)(C)CC(=O)O
InChIInChI=1S/C10H17NO4/c1-5-10(14)15-7-8(2)11(3,4)6-9(12)13/h5,8H,1,6-7H2,2-4H3/p+1
InChIKeyCZYYDYGIIHUGIO-UHFFFAOYSA-O
MW216.26 g/mol
LogP0.27
Rot. Bonds6

About carboxymethyl-dimethyl-(1-prop-2-enoyloxypropan-2-yl)azanium

carboxymethyl-dimethyl-(1-prop-2-enoyloxypropan-2-yl)azanium (PubChem CID 90396677) has the molecular formula C10H18NO4+ and a molecular weight of 216.26 g/mol. Its IUPAC name is carboxymethyl-dimethyl-(1-prop-2-enoyloxypropan-2-yl)azanium.

Molecular Properties

Compound Namecarboxymethyl-dimethyl-(1-prop-2-enoyloxypropan-2-yl)azanium
PubChem CID90396677
Molecular FormulaC10H18NO4+
Molecular Weight216.26 g/mol
Exact Mass216.12
IUPAC Namecarboxymethyl-dimethyl-(1-prop-2-enoyloxypropan-2-yl)azanium
SMILESC=CC(=O)OCC(C)[N+](C)(C)CC(=O)O
InChIInChI=1S/C10H17NO4/c1-5-10(14)15-7-8(2)11(3,4)6-9(12)13/h5,8H,1,6-7H2,2-4H3/p+1
InChIKeyCZYYDYGIIHUGIO-UHFFFAOYSA-O
XLogP0.27
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl(1-prop-2-enoyloxypropan-2-yl)azanium chloride
CID 87502467
2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid
CID 87645006
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
2-chloropropyl prop-2-enoate;prop-2-enoic acid
CID 175785601
2,2-bis(sulfanyl)ethyl prop-2-enoate
CID 150173166
[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate
CID 139835678
3-hydroxy-2-(prop-2-enoyloxymethyl)butanoic acid
CID 174714719
carboxymethyl-dimethyl-(3-prop-2-enoyloxypropyl)azanium
CID 135274057
2-hydroxy-3-prop-2-enoyloxypropanoic acid
CID 118523879
(2-hydroxy-2-sulfanylethyl) prop-2-enoate
CID 150473785
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 139889526
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 121420632

Frequently Asked Questions

What is the IUPAC name of carboxymethyl-dimethyl-(1-prop-2-enoyloxypropan-2-yl)azanium?
The IUPAC name of carboxymethyl-dimethyl-(1-prop-2-enoyloxypropan-2-yl)azanium (CID 90396677) is carboxymethyl-dimethyl-(1-prop-2-enoyloxypropan-2-yl)azanium.
What is the SMILES notation for carboxymethyl-dimethyl-(1-prop-2-enoyloxypropan-2-yl)azanium?
The canonical SMILES for carboxymethyl-dimethyl-(1-prop-2-enoyloxypropan-2-yl)azanium is C=CC(=O)OCC(C)[N+](C)(C)CC(=O)O.
What is the InChIKey of carboxymethyl-dimethyl-(1-prop-2-enoyloxypropan-2-yl)azanium?
The InChIKey is CZYYDYGIIHUGIO-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H17NO4/c1-5-10(14)15-7-8(2)11(3,4)6-9(12)13/h5,8H,1,6-7H2,2-4H3/p+1.
What are the key properties of carboxymethyl-dimethyl-(1-prop-2-enoyloxypropan-2-yl)azanium?
carboxymethyl-dimethyl-(1-prop-2-enoyloxypropan-2-yl)azanium has a molecular weight of 216.26 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl-dimethyl-(1-prop-2-enoyloxypropan-2-yl)azanium is sourced from PubChem (CID 90396677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).