tert-butyl 2-(2-cyclopropylpropan-2-ylamino)acetate

C12H23NO2 — CID 103949974

IUPACtert-butyl 2-(2-cyclopropylpropan-2-ylamino)acetate
SMILESCC(C)(C)OC(=O)CNC(C)(C)C1CC1
InChIInChI=1S/C12H23NO2/c1-11(2,3)15-10(14)8-13-12(4,5)9-6-7-9/h9,13H,6-8H2,1-5H3
InChIKeyHMEPXENLYYYCDU-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds4

About tert-butyl 2-(2-cyclopropylpropan-2-ylamino)acetate

tert-butyl 2-(2-cyclopropylpropan-2-ylamino)acetate (PubChem CID 103949974) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl 2-(2-cyclopropylpropan-2-ylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-cyclopropylpropan-2-ylamino)acetate
PubChem CID103949974
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl 2-(2-cyclopropylpropan-2-ylamino)acetate
SMILESCC(C)(C)OC(=O)CNC(C)(C)C1CC1
InChIInChI=1S/C12H23NO2/c1-11(2,3)15-10(14)8-13-12(4,5)9-6-7-9/h9,13H,6-8H2,1-5H3
InChIKeyHMEPXENLYYYCDU-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(2-cyclohexylethylamino)acetate
CID 60920745
tert-butyl 2-(cyclopentyloxyamino)acetate
CID 83228289
tert-butyl 3-cyclopropyl-3-methylbutanoate
CID 123397045
tert-butyl 2-(2-methylsulfanylpropan-2-ylamino)acetate
CID 146252161
tert-butyl 2-(cyclopentanecarbonylamino)acetate
CID 123696523
tert-butyl 2-[(2-methyloxolan-3-yl)amino]acetate
CID 82718888
tert-butyl 2-(1,1-diethoxyethylamino)acetate
CID 19094648
tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate
CID 63243388
N-cyclopentyl-2-(2-cyclopropylpropan-2-ylamino)acetamide
CID 103949963
tert-butyl 2-(methylamino)acetate;ethane
CID 143004820
tert-butyl 2-(methylamino)acetate;hydrochloride
CID 11252350
tert-butyl 2-(2-cyclopentyloxyethylamino)acetate
CID 63826969

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-cyclopropylpropan-2-ylamino)acetate?
The IUPAC name of tert-butyl 2-(2-cyclopropylpropan-2-ylamino)acetate (CID 103949974) is tert-butyl 2-(2-cyclopropylpropan-2-ylamino)acetate.
What is the SMILES notation for tert-butyl 2-(2-cyclopropylpropan-2-ylamino)acetate?
The canonical SMILES for tert-butyl 2-(2-cyclopropylpropan-2-ylamino)acetate is CC(C)(C)OC(=O)CNC(C)(C)C1CC1.
What is the InChIKey of tert-butyl 2-(2-cyclopropylpropan-2-ylamino)acetate?
The InChIKey is HMEPXENLYYYCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(2,3)15-10(14)8-13-12(4,5)9-6-7-9/h9,13H,6-8H2,1-5H3.
What are the key properties of tert-butyl 2-(2-cyclopropylpropan-2-ylamino)acetate?
tert-butyl 2-(2-cyclopropylpropan-2-ylamino)acetate has a molecular weight of 213.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-cyclopropylpropan-2-ylamino)acetate is sourced from PubChem (CID 103949974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).