methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoate

C12H22N2O3 — CID 115448160

IUPACmethyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)C1(CN)CCC1
InChIInChI=1S/C12H22N2O3/c1-9(10(15)17-3)7-14(2)11(16)12(8-13)5-4-6-12/h9H,4-8,13H2,1-3H3
InChIKeyKRCFRZPUKFRMPM-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.38
Rot. Bonds5

About methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoate

methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoate (PubChem CID 115448160) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoate
PubChem CID115448160
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)C1(CN)CCC1
InChIInChI=1S/C12H22N2O3/c1-9(10(15)17-3)7-14(2)11(16)12(8-13)5-4-6-12/h9H,4-8,13H2,1-3H3
InChIKeyKRCFRZPUKFRMPM-UHFFFAOYSA-N
XLogP0.38
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoate with MolForge

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Related Compounds

Methyl 3-[2-(aminomethyl)pentanoyl-(2,2,2-trifluoroethyl)amino]propanoate
CID 65227194
Methyl 3-[[2-(aminomethyl)-4-methylpentanoyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 80118514
Methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 115448091
methyl 3-[[(1S,3R)-2,2,3-trimethylcyclobutanecarbonyl]amino]propanoate
CID 58111013
Methyl 3-(2,2-dimethylpentanoylamino)propanoate
CID 135208404
2,2-Dimethylpropyl 3-(cyclobutanecarbonylamino)propanoate
CID 60253082
Methyl 3-[cyclobutanecarbonyl(ethyl)amino]propanoate
CID 61007484
Methyl 3-[cyclobutanecarbonyl(methyl)amino]propanoate
CID 61032474
Methyl 3-[cyclobutanecarbonyl(methyl)amino]-2-methylpropanoate
CID 61598543
Methyl 3-[(3-methylpiperidine-3-carbonyl)-(2-methylpropyl)amino]propanoate
CID 63131422
Methyl 2-methyl-3-[methyl-(3-methylpiperidine-3-carbonyl)amino]propanoate
CID 63131858
Methyl 3-[(6-amino-4-ethylhexanoyl)-methylamino]-2-methylpropanoate
CID 64344645

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoate (CID 115448160) is methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)C(=O)C1(CN)CCC1.
What is the InChIKey of methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoate?
The InChIKey is KRCFRZPUKFRMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(10(15)17-3)7-14(2)11(16)12(8-13)5-4-6-12/h9H,4-8,13H2,1-3H3.
What are the key properties of methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoate?
methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoate has a molecular weight of 242.32 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoate is sourced from PubChem (CID 115448160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).