tert-butyl 2-(1-cyclopropylbutan-2-ylamino)acetate

C13H25NO2 — CID 63996725

IUPACtert-butyl 2-(1-cyclopropylbutan-2-ylamino)acetate
SMILESCCC(CC1CC1)NCC(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO2/c1-5-11(8-10-6-7-10)14-9-12(15)16-13(2,3)4/h10-11,14H,5-9H2,1-4H3
InChIKeyUXFOODXVXSXBSQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds6

About tert-butyl 2-(1-cyclopropylbutan-2-ylamino)acetate

tert-butyl 2-(1-cyclopropylbutan-2-ylamino)acetate (PubChem CID 63996725) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is tert-butyl 2-(1-cyclopropylbutan-2-ylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(1-cyclopropylbutan-2-ylamino)acetate
PubChem CID63996725
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nametert-butyl 2-(1-cyclopropylbutan-2-ylamino)acetate
SMILESCCC(CC1CC1)NCC(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO2/c1-5-11(8-10-6-7-10)14-9-12(15)16-13(2,3)4/h10-11,14H,5-9H2,1-4H3
InChIKeyUXFOODXVXSXBSQ-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-cyclopropylbutan-2-ylamino)acetate?
The IUPAC name of tert-butyl 2-(1-cyclopropylbutan-2-ylamino)acetate (CID 63996725) is tert-butyl 2-(1-cyclopropylbutan-2-ylamino)acetate.
What is the SMILES notation for tert-butyl 2-(1-cyclopropylbutan-2-ylamino)acetate?
The canonical SMILES for tert-butyl 2-(1-cyclopropylbutan-2-ylamino)acetate is CCC(CC1CC1)NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(1-cyclopropylbutan-2-ylamino)acetate?
The InChIKey is UXFOODXVXSXBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-11(8-10-6-7-10)14-9-12(15)16-13(2,3)4/h10-11,14H,5-9H2,1-4H3.
What are the key properties of tert-butyl 2-(1-cyclopropylbutan-2-ylamino)acetate?
tert-butyl 2-(1-cyclopropylbutan-2-ylamino)acetate has a molecular weight of 227.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-cyclopropylbutan-2-ylamino)acetate is sourced from PubChem (CID 63996725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).