methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate

C10H20N2O3 — CID 60677105

IUPACmethyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate
SMILESCCCNC(=O)C(C)N(C)CC(=O)OC
InChIInChI=1S/C10H20N2O3/c1-5-6-11-10(14)8(2)12(3)7-9(13)15-4/h8H,5-7H2,1-4H3,(H,11,14)
InChIKeyPOGBHPBDLSMKJD-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.01
Rot. Bonds6

About methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate

methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate (PubChem CID 60677105) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate
PubChem CID60677105
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate
SMILESCCCNC(=O)C(C)N(C)CC(=O)OC
InChIInChI=1S/C10H20N2O3/c1-5-6-11-10(14)8(2)12(3)7-9(13)15-4/h8H,5-7H2,1-4H3,(H,11,14)
InChIKeyPOGBHPBDLSMKJD-UHFFFAOYSA-N
XLogP0.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 55028897
methyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60720984
methyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60677092
methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60721008
methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60670343
methyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62010774
methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62012910
methyl 2-[4-methoxybutan-2-yl(methyl)amino]acetate
CID 115688695
methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953645
methyl 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate
CID 62026833
methyl 2-[[(3R)-hexan-3-yl]-methylamino]acetate
CID 90862212
methyl 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate
CID 62025892

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate (CID 60677105) is methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate is CCCNC(=O)C(C)N(C)CC(=O)OC.
What is the InChIKey of methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate?
The InChIKey is POGBHPBDLSMKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-6-11-10(14)8(2)12(3)7-9(13)15-4/h8H,5-7H2,1-4H3,(H,11,14).
What are the key properties of methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate?
methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate has a molecular weight of 216.28 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate is sourced from PubChem (CID 60677105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).