N,N-dimethylethanamine;oxetane;propanoic acid

C10H23NO3 — CID 172999103

IUPACN,N-dimethylethanamine;oxetane;propanoic acid
SMILESC1COC1.CCC(=O)O.CCN(C)C
InChIInChI=1S/C4H11N.C3H6O2.C3H6O/c1-4-5(2)3;1-2-3(4)5;1-2-4-3-1/h4H2,1-3H3;2H2,1H3,(H,4,5);1-3H2
InChIKeyLTTODTRNXMAGBO-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.46
Rot. Bonds2

About N,N-dimethylethanamine;oxetane;propanoic acid

N,N-dimethylethanamine;oxetane;propanoic acid (PubChem CID 172999103) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N,N-dimethylethanamine;oxetane;propanoic acid.

Molecular Properties

Compound NameN,N-dimethylethanamine;oxetane;propanoic acid
PubChem CID172999103
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC NameN,N-dimethylethanamine;oxetane;propanoic acid
SMILESC1COC1.CCC(=O)O.CCN(C)C
InChIInChI=1S/C4H11N.C3H6O2.C3H6O/c1-4-5(2)3;1-2-3(4)5;1-2-4-3-1/h4H2,1-3H3;2H2,1H3,(H,4,5);1-3H2
InChIKeyLTTODTRNXMAGBO-UHFFFAOYSA-N
XLogP1.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylethanamine;oxetane;propanoic acid?
The IUPAC name of N,N-dimethylethanamine;oxetane;propanoic acid (CID 172999103) is N,N-dimethylethanamine;oxetane;propanoic acid.
What is the SMILES notation for N,N-dimethylethanamine;oxetane;propanoic acid?
The canonical SMILES for N,N-dimethylethanamine;oxetane;propanoic acid is C1COC1.CCC(=O)O.CCN(C)C.
What is the InChIKey of N,N-dimethylethanamine;oxetane;propanoic acid?
The InChIKey is LTTODTRNXMAGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C3H6O2.C3H6O/c1-4-5(2)3;1-2-3(4)5;1-2-4-3-1/h4H2,1-3H3;2H2,1H3,(H,4,5);1-3H2.
What are the key properties of N,N-dimethylethanamine;oxetane;propanoic acid?
N,N-dimethylethanamine;oxetane;propanoic acid has a molecular weight of 205.30 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethanamine;oxetane;propanoic acid is sourced from PubChem (CID 172999103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).