methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpropanoate

C13H24N2O3 — CID 79527399

IUPACmethyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)C1CCC(CN)CC1
InChIInChI=1S/C13H24N2O3/c1-13(2,12(17)18-3)15-11(16)10-6-4-9(8-14)5-7-10/h9-10H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyUGYJRHGSMRWLOA-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.82
Rot. Bonds4

About methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpropanoate

methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpropanoate (PubChem CID 79527399) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpropanoate
PubChem CID79527399
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)C1CCC(CN)CC1
InChIInChI=1S/C13H24N2O3/c1-13(2,12(17)18-3)15-11(16)10-6-4-9(8-14)5-7-10/h9-10H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyUGYJRHGSMRWLOA-UHFFFAOYSA-N
XLogP0.82
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpropanoate with MolForge

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Related Compounds

methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]acetate
CID 79527105
4-(aminomethyl)-N-(2-methylbut-3-yn-2-yl)cyclohexane-1-carboxamide
CID 79527650
methyl 2-[(3-aminocyclohexanecarbonyl)amino]-2-methylpropanoate
CID 63043974
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoate
CID 79527045
4-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexane-1-carboxamide
CID 107865545
N-(1-amino-2-methyl-1-oxopropan-2-yl)cyclopropanecarboxamide
CID 61226670
methyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 94094068
methyl 2-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoate
CID 64823158
4-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 79511570
methyl 2-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2-methylpropanoate
CID 51873205
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
tert-butyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 23444208

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpropanoate (CID 79527399) is methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)C1CCC(CN)CC1.
What is the InChIKey of methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpropanoate?
The InChIKey is UGYJRHGSMRWLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,12(17)18-3)15-11(16)10-6-4-9(8-14)5-7-10/h9-10H,4-8,14H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpropanoate?
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpropanoate has a molecular weight of 256.35 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpropanoate is sourced from PubChem (CID 79527399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).