tert-butyl 2-formamidoacetate

C7H13NO3 — CID 11469223

IUPACtert-butyl 2-formamidoacetate
SMILESCC(C)(C)OC(=O)CNC=O
InChIInChI=1S/C7H13NO3/c1-7(2,3)11-6(10)4-8-5-9/h5H,4H2,1-3H3,(H,8,9)
InChIKeyAWCUWCRQTQPXLK-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.07
Rot. Bonds3

About tert-butyl 2-formamidoacetate

tert-butyl 2-formamidoacetate (PubChem CID 11469223) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is tert-butyl 2-formamidoacetate.

Molecular Properties

Compound Nametert-butyl 2-formamidoacetate
PubChem CID11469223
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Nametert-butyl 2-formamidoacetate
SMILESCC(C)(C)OC(=O)CNC=O
InChIInChI=1S/C7H13NO3/c1-7(2,3)11-6(10)4-8-5-9/h5H,4H2,1-3H3,(H,8,9)
InChIKeyAWCUWCRQTQPXLK-UHFFFAOYSA-N
XLogP0.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-(methylamino)acetate;ethane
CID 143004820
tert-butyl 2-(methylamino)acetate;hydrochloride
CID 11252350
tert-butyl 2-(methanesulfinamido)acetate
CID 143068287
tert-butyl 2-(pent-4-enylamino)acetate
CID 86171439
tert-butyl 2-[[(E)-3-cyano-3-methylbut-1-enyl]amino]acetate
CID 141452229
tert-butyl 3-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]propanoate
CID 166149013
tert-butyl 2-(methylamino)acetate;hydron;chloride
CID 45382244
tert-butyl 2-[2-(methylamino)ethylamino]acetate
CID 59921864
tert-butyl 2-(cyanomethylamino)acetate
CID 91827792
tert-butyl 2-(2,2,3,3-tetrafluoropropylamino)acetate
CID 106291499
tert-butyl 2-(2,2-dimethylhydrazinyl)acetate
CID 20684895
tert-butyl 2-(3-methylbutylamino)acetate
CID 15481673

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-formamidoacetate?
The IUPAC name of tert-butyl 2-formamidoacetate (CID 11469223) is tert-butyl 2-formamidoacetate.
What is the SMILES notation for tert-butyl 2-formamidoacetate?
The canonical SMILES for tert-butyl 2-formamidoacetate is CC(C)(C)OC(=O)CNC=O.
What is the InChIKey of tert-butyl 2-formamidoacetate?
The InChIKey is AWCUWCRQTQPXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(2,3)11-6(10)4-8-5-9/h5H,4H2,1-3H3,(H,8,9).
What are the key properties of tert-butyl 2-formamidoacetate?
tert-butyl 2-formamidoacetate has a molecular weight of 159.18 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-formamidoacetate is sourced from PubChem (CID 11469223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).