tert-butyl 2-amino-2,2-diethoxyacetate

C10H21NO4 — CID 87520437

IUPACtert-butyl 2-amino-2,2-diethoxyacetate
SMILESCCOC(N)(OCC)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO4/c1-6-13-10(11,14-7-2)8(12)15-9(3,4)5/h6-7,11H2,1-5H3
InChIKeyJHAWCVXENXZOPX-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.01
Rot. Bonds5

About tert-butyl 2-amino-2,2-diethoxyacetate

tert-butyl 2-amino-2,2-diethoxyacetate (PubChem CID 87520437) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is tert-butyl 2-amino-2,2-diethoxyacetate.

Molecular Properties

Compound Nametert-butyl 2-amino-2,2-diethoxyacetate
PubChem CID87520437
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Nametert-butyl 2-amino-2,2-diethoxyacetate
SMILESCCOC(N)(OCC)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO4/c1-6-13-10(11,14-7-2)8(12)15-9(3,4)5/h6-7,11H2,1-5H3
InChIKeyJHAWCVXENXZOPX-UHFFFAOYSA-N
XLogP1.01
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-amino-2-methylbutanoate
CID 57065148
tert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 166066417
tert-butyl (2R)-2-amino-2-hydroxypropanoate
CID 88686968
tert-butyl (2S)-2-amino-2-hydroxypentanoate
CID 172785158
3-O-tert-butyl 1-O-ethyl 2-bromo-2-methylpropanedioate
CID 21329498
3-O-tert-butyl 1-O-ethyl (2R)-2-fluoro-2-methylpropanedioate
CID 126688340
2-amino-2-(2-ethoxyethoxy)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 87307730
ditert-butyl 2-amino-2-[[[2-amino-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopropyl]disulfanyl]methyl]propanedioate
CID 165146605
3-O-tert-butyl 1-O-ethyl 2-amino-2-butylpropanedioate
CID 141145438
4-O-tert-butyl 1-O-ethyl 2-amino-2-methyl-3-oxobutanedioate
CID 175879330
tert-butyl 2-amino-4-(dimethylamino)-2-methyl-4-oxobutanoate
CID 175133888
tert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate
CID 124571858

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2,2-diethoxyacetate?
The IUPAC name of tert-butyl 2-amino-2,2-diethoxyacetate (CID 87520437) is tert-butyl 2-amino-2,2-diethoxyacetate.
What is the SMILES notation for tert-butyl 2-amino-2,2-diethoxyacetate?
The canonical SMILES for tert-butyl 2-amino-2,2-diethoxyacetate is CCOC(N)(OCC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-amino-2,2-diethoxyacetate?
The InChIKey is JHAWCVXENXZOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-6-13-10(11,14-7-2)8(12)15-9(3,4)5/h6-7,11H2,1-5H3.
What are the key properties of tert-butyl 2-amino-2,2-diethoxyacetate?
tert-butyl 2-amino-2,2-diethoxyacetate has a molecular weight of 219.28 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2,2-diethoxyacetate is sourced from PubChem (CID 87520437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).