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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
CID 80587473
1-(aminomethyl)-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 106915364
methyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methylpentanoate
CID 113358128
methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate
CID 105415482
1-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylcyclopentane-1-carboxamide
CID 63695176
1-(hydroxymethyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 115183973
1-(aminomethyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 54593229
N-methyl-1-(methylaminomethyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 115183654
methyl 3-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]-2-methylpropanoate
CID 104919723
1-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclobutane-1-carboxamide
CID 82947993
2-[1-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]cyclopentyl]acetic acid
CID 64700888
methyl 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanoate
CID 65213091

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).