tert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate

C13H25NO2 — CID 103734836

IUPACtert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate
SMILESCCC1(CNC(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-6-13(7-8-13)9-14-10(2)11(15)16-12(3,4)5/h10,14H,6-9H2,1-5H3
InChIKeyVYMUUVQXNJMQLR-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds5

About tert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate

tert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate (PubChem CID 103734836) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is tert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate
PubChem CID103734836
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nametert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate
SMILESCCC1(CNC(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-6-13(7-8-13)9-14-10(2)11(15)16-12(3,4)5/h10,14H,6-9H2,1-5H3
InChIKeyVYMUUVQXNJMQLR-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

tert-butyl 2-[(1-hydroxycycloheptyl)methylamino]propanoate
CID 66338142
tert-butyl 2-[(4-ethylcyclohexyl)methylamino]propanoate
CID 66338686
tert-butyl 2-(2-methylpropylamino)propanoate
CID 64688335
tert-butyl 2-(2,2,3-trimethylbutylamino)propanoate
CID 102670947
tert-butyl 2-(2-aminoethylamino)propanoate
CID 66338502
tert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate
CID 66337597
tert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate
CID 103735451
tert-butyl (2R)-2-(3-methoxybutan-2-ylamino)propanoate
CID 103903785
tert-butyl 2-[[2-(methylamino)-2-oxoethyl]amino]propanoate
CID 64687542
tert-butyl 3-(1-ethylcyclopropyl)propanoate
CID 166027705
tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate
CID 130674392
N-[(1-ethylcyclopropyl)methyl]propan-2-amine
CID 66026004

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate?
The IUPAC name of tert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate (CID 103734836) is tert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate.
What is the SMILES notation for tert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate?
The canonical SMILES for tert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate is CCC1(CNC(C)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate?
The InChIKey is VYMUUVQXNJMQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-6-13(7-8-13)9-14-10(2)11(15)16-12(3,4)5/h10,14H,6-9H2,1-5H3.
What are the key properties of tert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate?
tert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate has a molecular weight of 227.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate is sourced from PubChem (CID 103734836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).