tert-butyl 2,2-bis(dimethylamino)acetate

C10H22N2O2 — CID 20512349

IUPACtert-butyl 2,2-bis(dimethylamino)acetate
SMILESCN(C)C(C(=O)OC(C)(C)C)N(C)C
InChIInChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)8(11(4)5)12(6)7/h8H,1-7H3
InChIKeyFBPAJBYRPJAEIK-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.78
Rot. Bonds3

About tert-butyl 2,2-bis(dimethylamino)acetate

tert-butyl 2,2-bis(dimethylamino)acetate (PubChem CID 20512349) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is tert-butyl 2,2-bis(dimethylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2,2-bis(dimethylamino)acetate
PubChem CID20512349
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nametert-butyl 2,2-bis(dimethylamino)acetate
SMILESCN(C)C(C(=O)OC(C)(C)C)N(C)C
InChIInChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)8(11(4)5)12(6)7/h8H,1-7H3
InChIKeyFBPAJBYRPJAEIK-UHFFFAOYSA-N
XLogP0.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[bis(2-amino-2-oxoethyl)amino]propanoate
CID 66338147
tert-butyl (2S)-2-aminopropanoate;dihydrochloride
CID 142726161
tert-butyl 2-fluoropropanoate
CID 91554233
tert-butyl (2S)-2-bromopropanoate
CID 12882378
tert-butyl (2S,3S)-2,3-dihydroxybutanoate
CID 24741378
tert-butyl 2-[ethyl(propan-2-yl)amino]propanoate
CID 64689549
tert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 64686559
tert-butyl 3,3-diamino-2-methylpropanoate
CID 18761797
tert-butyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride
CID 56776989
ditert-butyl methyl methanetricarboxylate
CID 45278404
ditert-butyl 2-[bis(sulfanyl)methyl]propanedioate
CID 88515400
ditert-butyl 2,3-bis(deuterioamino)butanedioate
CID 175944485

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-bis(dimethylamino)acetate?
The IUPAC name of tert-butyl 2,2-bis(dimethylamino)acetate (CID 20512349) is tert-butyl 2,2-bis(dimethylamino)acetate.
What is the SMILES notation for tert-butyl 2,2-bis(dimethylamino)acetate?
The canonical SMILES for tert-butyl 2,2-bis(dimethylamino)acetate is CN(C)C(C(=O)OC(C)(C)C)N(C)C.
What is the InChIKey of tert-butyl 2,2-bis(dimethylamino)acetate?
The InChIKey is FBPAJBYRPJAEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)8(11(4)5)12(6)7/h8H,1-7H3.
What are the key properties of tert-butyl 2,2-bis(dimethylamino)acetate?
tert-butyl 2,2-bis(dimethylamino)acetate has a molecular weight of 202.30 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-bis(dimethylamino)acetate is sourced from PubChem (CID 20512349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).