methyl 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate

C14H28N2O3 — CID 62025892

IUPACmethyl 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(C)C)C(C)C(=O)NCCC(C)C
InChIInChI=1S/C14H28N2O3/c1-10(2)7-8-15-14(18)12(5)16(11(3)4)9-13(17)19-6/h10-12H,7-9H2,1-6H3,(H,15,18)
InChIKeyASXOPPLXGMFGLW-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.42
Rot. Bonds8

About methyl 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate

methyl 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate (PubChem CID 62025892) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is methyl 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate
PubChem CID62025892
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Namemethyl 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(C)C)C(C)C(=O)NCCC(C)C
InChIInChI=1S/C14H28N2O3/c1-10(2)7-8-15-14(18)12(5)16(11(3)4)9-13(17)19-6/h10-12H,7-9H2,1-6H3,(H,15,18)
InChIKeyASXOPPLXGMFGLW-UHFFFAOYSA-N
XLogP1.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-propan-2-ylamino]acetate
CID 62025889
methyl 2-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]propanoate
CID 62026454
methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate
CID 60677105
methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953645
2-[2-aminoethyl(pentan-3-yl)amino]-N-(3-methylbutyl)propanamide
CID 63762461
methyl 2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)-propan-2-ylamino]acetate
CID 62026267
methyl 2-[bis(1-hydroxyethyl)amino]acetate
CID 175353629
methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 55028897
2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54900395
methyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60720984
2-[2-aminopropyl(methyl)amino]-N-(3-methylbutyl)propanamide
CID 63758993
methyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62010774

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate (CID 62025892) is methyl 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate is COC(=O)CN(C(C)C)C(C)C(=O)NCCC(C)C.
What is the InChIKey of methyl 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate?
The InChIKey is ASXOPPLXGMFGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-10(2)7-8-15-14(18)12(5)16(11(3)4)9-13(17)19-6/h10-12H,7-9H2,1-6H3,(H,15,18).
What are the key properties of methyl 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate?
methyl 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate has a molecular weight of 272.39 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate is sourced from PubChem (CID 62025892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).