methyl 2-[cyclopropyl(methyl)amino]-2-oxoacetate

C7H11NO3 — CID 112616726

IUPACmethyl 2-[cyclopropyl(methyl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)N(C)C1CC1
InChIInChI=1S/C7H11NO3/c1-8(5-3-4-5)6(9)7(10)11-2/h5H,3-4H2,1-2H3
InChIKeyYHYCNJIEYULFEJ-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.22
Rot. Bonds1

About methyl 2-[cyclopropyl(methyl)amino]-2-oxoacetate

methyl 2-[cyclopropyl(methyl)amino]-2-oxoacetate (PubChem CID 112616726) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl 2-[cyclopropyl(methyl)amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[cyclopropyl(methyl)amino]-2-oxoacetate
PubChem CID112616726
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemethyl 2-[cyclopropyl(methyl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)N(C)C1CC1
InChIInChI=1S/C7H11NO3/c1-8(5-3-4-5)6(9)7(10)11-2/h5H,3-4H2,1-2H3
InChIKeyYHYCNJIEYULFEJ-UHFFFAOYSA-N
XLogP-0.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopropyl(methyl)amino]-2-oxoacetate?
The IUPAC name of methyl 2-[cyclopropyl(methyl)amino]-2-oxoacetate (CID 112616726) is methyl 2-[cyclopropyl(methyl)amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[cyclopropyl(methyl)amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[cyclopropyl(methyl)amino]-2-oxoacetate is COC(=O)C(=O)N(C)C1CC1.
What is the InChIKey of methyl 2-[cyclopropyl(methyl)amino]-2-oxoacetate?
The InChIKey is YHYCNJIEYULFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-8(5-3-4-5)6(9)7(10)11-2/h5H,3-4H2,1-2H3.
What are the key properties of methyl 2-[cyclopropyl(methyl)amino]-2-oxoacetate?
methyl 2-[cyclopropyl(methyl)amino]-2-oxoacetate has a molecular weight of 157.17 g/mol, XLogP of -0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopropyl(methyl)amino]-2-oxoacetate is sourced from PubChem (CID 112616726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).