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

C11H22N2O3 — CID 60691411

IUPACmethyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate
SMILESCOC(=O)C(C)NCC(=O)NC(C)C(C)C
InChIInChI=1S/C11H22N2O3/c1-7(2)8(3)13-10(14)6-12-9(4)11(15)16-5/h7-9,12H,6H2,1-5H3,(H,13,14)
InChIKeyWLWHMVCYRMYIIL-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.30
Rot. Bonds6

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

methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate (PubChem CID 60691411) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate
PubChem CID60691411
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate
SMILESCOC(=O)C(C)NCC(=O)NC(C)C(C)C
InChIInChI=1S/C11H22N2O3/c1-7(2)8(3)13-10(14)6-12-9(4)11(15)16-5/h7-9,12H,6H2,1-5H3,(H,13,14)
InChIKeyWLWHMVCYRMYIIL-UHFFFAOYSA-N
XLogP0.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate with MolForge

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Related Compounds

methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate
CID 60691190
N-methyl-2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanamide
CID 61489451
N-(3-methylbutan-2-yl)-2-(5-methylhexan-2-ylamino)acetamide
CID 60689682
methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetate
CID 60687550
N-methyl-2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 60695644
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propan-2-ylacetamide
CID 77030474
methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoate
CID 60691118
methyl 2-[(2-acetamidoacetyl)amino]propanoate
CID 3128467
2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 54961686
2-[2-(carbamoylamino)ethylamino]-N-(3-methylbutan-2-yl)acetamide
CID 83113955
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]propanoate
CID 60691142
N-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide
CID 61489179

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate?
The IUPAC name of methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate (CID 60691411) is methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate is COC(=O)C(C)NCC(=O)NC(C)C(C)C.
What is the InChIKey of methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate?
The InChIKey is WLWHMVCYRMYIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(2)8(3)13-10(14)6-12-9(4)11(15)16-5/h7-9,12H,6H2,1-5H3,(H,13,14).
What are the key properties of methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate?
methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate has a molecular weight of 230.31 g/mol, XLogP of 0.30, 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]propanoate is sourced from PubChem (CID 60691411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).