carboxymethyl-(2-hydroxy-3-propoxypropyl)-dimethylazanium

C10H22NO4+ — CID 21014970

IUPACcarboxymethyl-(2-hydroxy-3-propoxypropyl)-dimethylazanium
SMILESCCCOCC(O)C[N+](C)(C)CC(=O)O
InChIInChI=1S/C10H21NO4/c1-4-5-15-8-9(12)6-11(2,3)7-10(13)14/h9,12H,4-8H2,1-3H3/p+1
InChIKeyKCFZTZSNHOAARA-UHFFFAOYSA-O
MW220.29 g/mol
LogP-0.07
Rot. Bonds8

About carboxymethyl-(2-hydroxy-3-propoxypropyl)-dimethylazanium

carboxymethyl-(2-hydroxy-3-propoxypropyl)-dimethylazanium (PubChem CID 21014970) has the molecular formula C10H22NO4+ and a molecular weight of 220.29 g/mol. Its IUPAC name is carboxymethyl-(2-hydroxy-3-propoxypropyl)-dimethylazanium.

Molecular Properties

Compound Namecarboxymethyl-(2-hydroxy-3-propoxypropyl)-dimethylazanium
PubChem CID21014970
Molecular FormulaC10H22NO4+
Molecular Weight220.29 g/mol
Exact Mass220.15
IUPAC Namecarboxymethyl-(2-hydroxy-3-propoxypropyl)-dimethylazanium
SMILESCCCOCC(O)C[N+](C)(C)CC(=O)O
InChIInChI=1S/C10H21NO4/c1-4-5-15-8-9(12)6-11(2,3)7-10(13)14/h9,12H,4-8H2,1-3H3/p+1
InChIKeyKCFZTZSNHOAARA-UHFFFAOYSA-O
XLogP-0.07
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Glycine, N-(3-butoxy-2-hydroxypropyl)-N-(carboxymethyl)-, sodium salt (1:1)
CID 56842597
2-(3-Acetyloxy-2-hydroxypropoxy)ethyl-trimethylazanium
CID 138966010
2-[Carboxymethyl-[2-hydroxy-3-(2-methylpropanoyloxy)propyl]amino]acetic acid
CID 139212791
2-[(3-Butoxy-2-hydroxypropyl)-(carboxymethyl)amino]acetic acid
CID 14572971
2-[(2-Hydroxy-3-propan-2-yloxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258203
2-[(2-Hydroxy-3-methoxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258588
2-[(3-Ethoxy-2-hydroxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265717
2-[[2-Hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 106991488
2-[[2-Hydroxy-3-(2-methoxyethoxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 106991489
2-[(3-Butoxy-2-hydroxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107263608
Sodium [(carboxymethyl){3-[(propan-2-yl)oxy]propyl}amino]acetate
CID 177841456
11-Ethyl-1,4,7-trioxa-11-azacyclotetradecane-9,13-diol
CID 13128587

Frequently Asked Questions

What is the IUPAC name of carboxymethyl-(2-hydroxy-3-propoxypropyl)-dimethylazanium?
The IUPAC name of carboxymethyl-(2-hydroxy-3-propoxypropyl)-dimethylazanium (CID 21014970) is carboxymethyl-(2-hydroxy-3-propoxypropyl)-dimethylazanium.
What is the SMILES notation for carboxymethyl-(2-hydroxy-3-propoxypropyl)-dimethylazanium?
The canonical SMILES for carboxymethyl-(2-hydroxy-3-propoxypropyl)-dimethylazanium is CCCOCC(O)C[N+](C)(C)CC(=O)O.
What is the InChIKey of carboxymethyl-(2-hydroxy-3-propoxypropyl)-dimethylazanium?
The InChIKey is KCFZTZSNHOAARA-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H21NO4/c1-4-5-15-8-9(12)6-11(2,3)7-10(13)14/h9,12H,4-8H2,1-3H3/p+1.
What are the key properties of carboxymethyl-(2-hydroxy-3-propoxypropyl)-dimethylazanium?
carboxymethyl-(2-hydroxy-3-propoxypropyl)-dimethylazanium has a molecular weight of 220.29 g/mol, XLogP of -0.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl-(2-hydroxy-3-propoxypropyl)-dimethylazanium is sourced from PubChem (CID 21014970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).