methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate

C13H24N2O3 — CID 60670343

IUPACmethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-10(15(2)9-12(16)18-3)13(17)14-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,14,17)
InChIKeyAMZOFFSHVBQAGM-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.93
Rot. Bonds5

About methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate

methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate (PubChem CID 60670343) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate
PubChem CID60670343
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-10(15(2)9-12(16)18-3)13(17)14-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,14,17)
InChIKeyAMZOFFSHVBQAGM-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62011561
N-cyclohexyl-2-[3-hydroxybutyl(methyl)amino]propanamide
CID 111496931
3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 60987133
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053534
3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid
CID 55007305
2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide
CID 86979720
methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate
CID 55028611
2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylpropanamide
CID 43116824
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 46614381
2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 55244223
methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate
CID 60677105
2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913701

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate?
The IUPAC name of methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate (CID 60670343) is methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate is COC(=O)CN(C)C(C)C(=O)NC1CCCCC1.
What is the InChIKey of methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate?
The InChIKey is AMZOFFSHVBQAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(15(2)9-12(16)18-3)13(17)14-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,14,17).
What are the key properties of methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate?
methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate has a molecular weight of 256.35 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate is sourced from PubChem (CID 60670343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).