tert-butyl 2-[cyclopropyl(ethyl)amino]propanoate

C12H23NO2 — CID 64687370

IUPACtert-butyl 2-[cyclopropyl(ethyl)amino]propanoate
SMILESCCN(C1CC1)C(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-6-13(10-7-8-10)9(2)11(14)15-12(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyDYCHIKSKOQKRFC-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.20
Rot. Bonds4

About tert-butyl 2-[cyclopropyl(ethyl)amino]propanoate

tert-butyl 2-[cyclopropyl(ethyl)amino]propanoate (PubChem CID 64687370) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl 2-[cyclopropyl(ethyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[cyclopropyl(ethyl)amino]propanoate
PubChem CID64687370
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl 2-[cyclopropyl(ethyl)amino]propanoate
SMILESCCN(C1CC1)C(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-6-13(10-7-8-10)9(2)11(14)15-12(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyDYCHIKSKOQKRFC-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[cyclopentyl(2-hydroxyethyl)amino]propanoate
CID 66339425
tert-butyl 2-[(2-amino-2-oxoethyl)-cyclopentylamino]propanoate
CID 64689159
tert-butyl 2-[cyclohexyl(2-hydroxyethyl)amino]propanoate
CID 66339424
tert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate
CID 64687774
tert-butyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoate
CID 64688568
2-[cyclopropyl(ethyl)amino]-4-methylpentan-3-one
CID 77400027
2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728240
tert-butyl 2-[ethyl(propan-2-yl)amino]propanoate
CID 64689549
2-[(4-aminocyclohexyl)-ethylamino]-N-(2-methylbutan-2-yl)propanamide
CID 79115626
tert-butyl 2-[1-cyclopropylethyl(methyl)amino]propanoate
CID 64689346
tert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 64686559
2-amino-4-[cyclohexyl(ethyl)amino]-2-methylpentanamide
CID 64725354

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[cyclopropyl(ethyl)amino]propanoate?
The IUPAC name of tert-butyl 2-[cyclopropyl(ethyl)amino]propanoate (CID 64687370) is tert-butyl 2-[cyclopropyl(ethyl)amino]propanoate.
What is the SMILES notation for tert-butyl 2-[cyclopropyl(ethyl)amino]propanoate?
The canonical SMILES for tert-butyl 2-[cyclopropyl(ethyl)amino]propanoate is CCN(C1CC1)C(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[cyclopropyl(ethyl)amino]propanoate?
The InChIKey is DYCHIKSKOQKRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-13(10-7-8-10)9(2)11(14)15-12(3,4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of tert-butyl 2-[cyclopropyl(ethyl)amino]propanoate?
tert-butyl 2-[cyclopropyl(ethyl)amino]propanoate has a molecular weight of 213.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[cyclopropyl(ethyl)amino]propanoate is sourced from PubChem (CID 64687370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).