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

C11H20N2O3 — CID 79527105

IUPACmethyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CCC(CN)CC1
InChIInChI=1S/C11H20N2O3/c1-16-10(14)7-13-11(15)9-4-2-8(6-12)3-5-9/h8-9H,2-7,12H2,1H3,(H,13,15)
InChIKeyWUFBNRAMPHDNGZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.04
Rot. Bonds4

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

methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]acetate (PubChem CID 79527105) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]acetate
PubChem CID79527105
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CCC(CN)CC1
InChIInChI=1S/C11H20N2O3/c1-16-10(14)7-13-11(15)9-4-2-8(6-12)3-5-9/h8-9H,2-7,12H2,1H3,(H,13,15)
InChIKeyWUFBNRAMPHDNGZ-UHFFFAOYSA-N
XLogP0.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpropanoate
CID 79527399
4-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 62807115
ethyl 2-(cyclopropanecarbonylamino)acetate
CID 5228151
4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide
CID 62806612
4-(aminomethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide;hydrochloride
CID 165437684
4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide
CID 79527493
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoate
CID 79527045
4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexane-1-carboxamide
CID 104694634
4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 79527583
4-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide
CID 104963837
N-[[4-(aminomethyl)cyclohexyl]methyl]acetamide
CID 45119594

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]acetate?
The IUPAC name of methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]acetate (CID 79527105) is methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]acetate is COC(=O)CNC(=O)C1CCC(CN)CC1.
What is the InChIKey of methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]acetate?
The InChIKey is WUFBNRAMPHDNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-16-10(14)7-13-11(15)9-4-2-8(6-12)3-5-9/h8-9H,2-7,12H2,1H3,(H,13,15).
What are the key properties of methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]acetate?
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]acetate has a molecular weight of 228.29 g/mol, XLogP of 0.04, 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]acetate is sourced from PubChem (CID 79527105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).