methyl 2-[di(propan-2-yl)amino]-2-oxoacetate

C9H17NO3 — CID 11769261

IUPACmethyl 2-[di(propan-2-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C9H17NO3/c1-6(2)10(7(3)4)8(11)9(12)13-5/h6-7H,1-5H3
InChIKeyOIMSXJGGAXRGJJ-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.80
Rot. Bonds2

About methyl 2-[di(propan-2-yl)amino]-2-oxoacetate

methyl 2-[di(propan-2-yl)amino]-2-oxoacetate (PubChem CID 11769261) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 2-[di(propan-2-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[di(propan-2-yl)amino]-2-oxoacetate
PubChem CID11769261
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 2-[di(propan-2-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C9H17NO3/c1-6(2)10(7(3)4)8(11)9(12)13-5/h6-7H,1-5H3
InChIKeyOIMSXJGGAXRGJJ-UHFFFAOYSA-N
XLogP0.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Ethyl N,N-diethyloxamate
CID 138489
Ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate
CID 14985599
Ethyl 2-oxo-2-(n,n-dipropylamino)acetate
CID 300609
Ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate
CID 60893933
N,N-di-isopropyloxamic acid
CID 10910050
Methyl 2-[acetyl(propan-2-yl)amino]acetate
CID 60766395
s-Butyl-morpholine-2,5-dione
CID 68619304
Methyl 2-((2-fluoroethyl)(methyl)amino)-2-oxoacetate
CID 57904866
3-Fluoroprop-2-ynyl 2-[di(propan-2-yl)amino]-2-oxoacetate
CID 139567739
Ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate
CID 170383647
2-[Acetyl(isopropyl)amino]ethyl acetate
CID 91618806
methyl (2S)-2-[methyl(2-methylpropanoyl)amino]propanoate
CID 45119456

Frequently Asked Questions

What is the IUPAC name of methyl 2-[di(propan-2-yl)amino]-2-oxoacetate?
The IUPAC name of methyl 2-[di(propan-2-yl)amino]-2-oxoacetate (CID 11769261) is methyl 2-[di(propan-2-yl)amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[di(propan-2-yl)amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[di(propan-2-yl)amino]-2-oxoacetate is COC(=O)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of methyl 2-[di(propan-2-yl)amino]-2-oxoacetate?
The InChIKey is OIMSXJGGAXRGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(2)10(7(3)4)8(11)9(12)13-5/h6-7H,1-5H3.
What are the key properties of methyl 2-[di(propan-2-yl)amino]-2-oxoacetate?
methyl 2-[di(propan-2-yl)amino]-2-oxoacetate has a molecular weight of 187.24 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[di(propan-2-yl)amino]-2-oxoacetate is sourced from PubChem (CID 11769261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).