methyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate

C11H21NO3 — CID 115142651

IUPACmethyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate
SMILESCOC(=O)C(=O)NCC(C)(C)CC(C)C
InChIInChI=1S/C11H21NO3/c1-8(2)6-11(3,4)7-12-9(13)10(14)15-5/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyFOODNTGGMQVAQB-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.35
Rot. Bonds4

About methyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate

methyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate (PubChem CID 115142651) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate.

Molecular Properties

Compound Namemethyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate
PubChem CID115142651
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate
SMILESCOC(=O)C(=O)NCC(C)(C)CC(C)C
InChIInChI=1S/C11H21NO3/c1-8(2)6-11(3,4)7-12-9(13)10(14)15-5/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyFOODNTGGMQVAQB-UHFFFAOYSA-N
XLogP1.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate
CID 115141799
ethyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate
CID 115142114
2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide
CID 115190376
(2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride
CID 119344448
2-(cyclopropylmethylamino)-N-(2,2,4-trimethylpentyl)acetamide
CID 119820261
2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride
CID 119820253
2-methyl-3-(methylamino)-N-(2,2,4-trimethylpentyl)propanamide
CID 119820265
4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide
CID 115163175
1-amino-N-(2,2,4-trimethylpentyl)cyclopentane-1-carboxamide;hydrochloride
CID 119344457
4-methoxy-N-(2,2,4-trimethylpentyl)piperidine-4-carboxamide;hydrochloride
CID 119820271
1-(1-hydroxybutan-2-yl)-3-(2,2,4-trimethylpentyl)urea
CID 111933174
methyl 2-[(2,2,4-trimethylpentylamino)methyl]butanoate
CID 115253272

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate?
The IUPAC name of methyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate (CID 115142651) is methyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate.
What is the SMILES notation for methyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate?
The canonical SMILES for methyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate is COC(=O)C(=O)NCC(C)(C)CC(C)C.
What is the InChIKey of methyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate?
The InChIKey is FOODNTGGMQVAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)6-11(3,4)7-12-9(13)10(14)15-5/h8H,6-7H2,1-5H3,(H,12,13).
What are the key properties of methyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate?
methyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate has a molecular weight of 215.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate is sourced from PubChem (CID 115142651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).