methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetate

C10H20N2O3 — CID 60687550

IUPACmethyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetate
SMILESCOC(=O)CNCC(=O)NC(C)C(C)C
InChIInChI=1S/C10H20N2O3/c1-7(2)8(3)12-9(13)5-11-6-10(14)15-4/h7-8,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyYWFXFRUWKQUWLH-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.09
Rot. Bonds6

About methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetate

methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetate (PubChem CID 60687550) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetate
PubChem CID60687550
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetate
SMILESCOC(=O)CNCC(=O)NC(C)C(C)C
InChIInChI=1S/C10H20N2O3/c1-7(2)8(3)12-9(13)5-11-6-10(14)15-4/h7-8,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyYWFXFRUWKQUWLH-UHFFFAOYSA-N
XLogP-0.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 60695644
methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate
CID 60691411
2-(cyclobutylmethylamino)-N-(3-methylbutan-2-yl)acetamide
CID 61489134
2-(4-hydroxybutylamino)-N-(3-methylbutan-2-yl)acetamide
CID 106841692
2-(2-ethoxyethylamino)-N-(3-methylbutan-2-yl)acetamide
CID 61489218
2-[(4-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 106133186
2-(2,3-dihydroxypropylamino)-N-(3-methylbutan-2-yl)acetamide
CID 66171224
N-(3-methylbutan-2-yl)-2-(oxan-4-ylmethylamino)acetamide
CID 63712550
2-[2-(carbamoylamino)ethylamino]-N-(3-methylbutan-2-yl)acetamide
CID 83113955
2-[(2-methoxyphenyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60688505
methyl 2-(2-methylpropylamino)acetate
CID 22175789
N-(3-methylbutan-2-yl)-2-[(1-propan-2-ylcyclopropyl)methylamino]acetamide
CID 114113618

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetate (CID 60687550) is methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetate is COC(=O)CNCC(=O)NC(C)C(C)C.
What is the InChIKey of methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetate?
The InChIKey is YWFXFRUWKQUWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)8(3)12-9(13)5-11-6-10(14)15-4/h7-8,11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetate?
methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetate has a molecular weight of 216.28 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 60687550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).