3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethoxypropanoic acid

C13H26N2O3 — CID 105418423

IUPAC3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethoxypropanoic acid
SMILESCCOC(CN(C)CC1(N(C)C)CCC1)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-5-18-11(12(16)17)9-15(4)10-13(14(2)3)7-6-8-13/h11H,5-10H2,1-4H3,(H,16,17)
InChIKeyBELVRPNSAWIIRS-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.89
Rot. Bonds8

About 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethoxypropanoic acid

3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethoxypropanoic acid (PubChem CID 105418423) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethoxypropanoic acid.

Molecular Properties

Compound Name3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethoxypropanoic acid
PubChem CID105418423
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethoxypropanoic acid
SMILESCCOC(CN(C)CC1(N(C)C)CCC1)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-5-18-11(12(16)17)9-15(4)10-13(14(2)3)7-6-8-13/h11H,5-10H2,1-4H3,(H,16,17)
InChIKeyBELVRPNSAWIIRS-UHFFFAOYSA-N
XLogP0.89
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoropropanoic acid
CID 105415424
methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate
CID 105415482
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol
CID 105416413
3-[cyclopentyl(methyl)amino]-2-ethoxypropanoic acid
CID 63067910
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 105416425
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine
CID 105413759
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]butane-1-thiol
CID 105418791
1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416277
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106992271
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-methylamino]butanoic acid
CID 105419686
3-[cyclopentyl(ethyl)amino]-2-ethoxypropanoic acid
CID 63067576
3-[cyclopropylmethyl(ethyl)amino]-2-ethoxypropanoic acid
CID 63939336

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethoxypropanoic acid?
The IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethoxypropanoic acid (CID 105418423) is 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethoxypropanoic acid.
What is the SMILES notation for 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethoxypropanoic acid?
The canonical SMILES for 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethoxypropanoic acid is CCOC(CN(C)CC1(N(C)C)CCC1)C(=O)O.
What is the InChIKey of 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethoxypropanoic acid?
The InChIKey is BELVRPNSAWIIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-18-11(12(16)17)9-15(4)10-13(14(2)3)7-6-8-13/h11H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethoxypropanoic acid?
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethoxypropanoic acid has a molecular weight of 258.36 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethoxypropanoic acid is sourced from PubChem (CID 105418423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).