methyl 2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoacetate

C9H15NO3 — CID 112616658

IUPACmethyl 2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoacetate
SMILESC=C(C)CN(CC)C(=O)C(=O)OC
InChIInChI=1S/C9H15NO3/c1-5-10(6-7(2)3)8(11)9(12)13-4/h2,5-6H2,1,3-4H3
InChIKeyJPCAVLPCFOSSCE-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.58
Rot. Bonds3

About methyl 2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoacetate

methyl 2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoacetate (PubChem CID 112616658) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoacetate
PubChem CID112616658
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoacetate
SMILESC=C(C)CN(CC)C(=O)C(=O)OC
InChIInChI=1S/C9H15NO3/c1-5-10(6-7(2)3)8(11)9(12)13-4/h2,5-6H2,1,3-4H3
InChIKeyJPCAVLPCFOSSCE-UHFFFAOYSA-N
XLogP0.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(diethylamino)prop-2-enoate
CID 14744312
methyl 2-[[methyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate
CID 101007571
N'-ethyl-N-(2-methoxyphenyl)-N'-(2-methylprop-2-enyl)oxamide
CID 91650552
3-amino-N-ethyl-2-methoxy-N-(2-methylprop-2-enyl)propanamide
CID 106111177
N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propanamide
CID 60660134
1-ethyl-3-[(1-methoxycyclobutyl)methyl]-1-(2-methylprop-2-enyl)urea
CID 122136539
methyl 2-[[tert-butyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate
CID 101011628
(2R)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)pentanamide
CID 107568096
methyl 2-methylidenebutanoate;propan-2-one
CID 174771904
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 24703589
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79799061
3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
CID 61009237

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoacetate?
The IUPAC name of methyl 2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoacetate (CID 112616658) is methyl 2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoacetate is C=C(C)CN(CC)C(=O)C(=O)OC.
What is the InChIKey of methyl 2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoacetate?
The InChIKey is JPCAVLPCFOSSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-5-10(6-7(2)3)8(11)9(12)13-4/h2,5-6H2,1,3-4H3.
What are the key properties of methyl 2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoacetate?
methyl 2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoacetate has a molecular weight of 185.22 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoacetate is sourced from PubChem (CID 112616658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).