methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate

C12H24N2O2 — CID 105415620

IUPACmethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate
SMILESCCC(NCC1(N(C)C)CCC1)C(=O)OC
InChIInChI=1S/C12H24N2O2/c1-5-10(11(15)16-4)13-9-12(14(2)3)7-6-8-12/h10,13H,5-9H2,1-4H3
InChIKeyKMNDZQSFFAKJPY-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds6

About methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate

methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate (PubChem CID 105415620) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate
PubChem CID105415620
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate
SMILESCCC(NCC1(N(C)C)CCC1)C(=O)OC
InChIInChI=1S/C12H24N2O2/c1-5-10(11(15)16-4)13-9-12(14(2)3)7-6-8-12/h10,13H,5-9H2,1-4H3
InChIKeyKMNDZQSFFAKJPY-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate
CID 83107449
methyl 2-[(1-ethylcyclobutyl)methylamino]butanoate
CID 107302654
methyl 2-[(1-methylcyclopentyl)methylamino]butanoate
CID 115353388
methyl 2-bromo-3-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate
CID 103262330
ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate
CID 83121065
(2S,3S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylpentanamide
CID 105417156
2-[[1-(dimethylamino)cyclobutyl]methylamino]-N,N-dimethylpropanamide
CID 105416686
methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate
CID 105415482
2-amino-3-[[1-(dimethylamino)cyclobutyl]methylamino]propanamide
CID 103268958
3-[[1-(dimethylamino)cyclopentyl]methylamino]butanoic acid
CID 83121061
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methoxypropanamide
CID 105420622
methyl 2-[(4-hydroxyoxan-4-yl)methylamino]butanoate
CID 115353524

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate?
The IUPAC name of methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate (CID 105415620) is methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate.
What is the SMILES notation for methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate?
The canonical SMILES for methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate is CCC(NCC1(N(C)C)CCC1)C(=O)OC.
What is the InChIKey of methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate?
The InChIKey is KMNDZQSFFAKJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-10(11(15)16-4)13-9-12(14(2)3)7-6-8-12/h10,13H,5-9H2,1-4H3.
What are the key properties of methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate?
methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate has a molecular weight of 228.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate is sourced from PubChem (CID 105415620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).