ethyl 2-oxo-2-(propan-2-ylamino)acetate

C7H13NO3 — CID 5001766

IUPACethyl 2-oxo-2-(propan-2-ylamino)acetate
SMILESCCOC(=O)C(=O)NC(C)C
InChIInChI=1S/C7H13NO3/c1-4-11-7(10)6(9)8-5(2)3/h5H,4H2,1-3H3,(H,8,9)
InChIKeyKNPIXOAOJUGPBM-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.07
Rot. Bonds2

About ethyl 2-oxo-2-(propan-2-ylamino)acetate

ethyl 2-oxo-2-(propan-2-ylamino)acetate (PubChem CID 5001766) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is ethyl 2-oxo-2-(propan-2-ylamino)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(propan-2-ylamino)acetate
PubChem CID5001766
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Nameethyl 2-oxo-2-(propan-2-ylamino)acetate
SMILESCCOC(=O)C(=O)NC(C)C
InChIInChI=1S/C7H13NO3/c1-4-11-7(10)6(9)8-5(2)3/h5H,4H2,1-3H3,(H,8,9)
InChIKeyKNPIXOAOJUGPBM-UHFFFAOYSA-N
XLogP0.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.07
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

ethyl 2-methylidene-3-(propan-2-ylcarbamoyl)but-3-enoate
CID 139878730
ethyl 2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetate
CID 155330526
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
ethyl 2-(2-methylpropylamino)-2-oxoacetate
CID 4143950
ethyl 2-oxo-2-(1,2,2-trifluoroethylamino)acetate
CID 175476798
methyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-4-methylpentanoate
CID 2166224
ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoacetate
CID 65048237
methyl 2-[(2-ethoxy-2-oxoacetyl)amino]-4-methylpentanoate
CID 2914892
ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate
CID 167448544
ethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetate
CID 61478574
ethyl 2-[(1-cyclopropyl-1-oxopropan-2-yl)amino]-2-oxoacetate
CID 171098969
ethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate
CID 103113071

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(propan-2-ylamino)acetate?
The IUPAC name of ethyl 2-oxo-2-(propan-2-ylamino)acetate (CID 5001766) is ethyl 2-oxo-2-(propan-2-ylamino)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(propan-2-ylamino)acetate?
The canonical SMILES for ethyl 2-oxo-2-(propan-2-ylamino)acetate is CCOC(=O)C(=O)NC(C)C.
What is the InChIKey of ethyl 2-oxo-2-(propan-2-ylamino)acetate?
The InChIKey is KNPIXOAOJUGPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-11-7(10)6(9)8-5(2)3/h5H,4H2,1-3H3,(H,8,9).
What are the key properties of ethyl 2-oxo-2-(propan-2-ylamino)acetate?
ethyl 2-oxo-2-(propan-2-ylamino)acetate has a molecular weight of 159.18 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(propan-2-ylamino)acetate is sourced from PubChem (CID 5001766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).