tert-butyl 3-[cyclopropyl(methyl)amino]propanoate

C11H21NO2 — CID 115590859

IUPACtert-butyl 3-[cyclopropyl(methyl)amino]propanoate
SMILESCN(CCC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C11H21NO2/c1-11(2,3)14-10(13)7-8-12(4)9-5-6-9/h9H,5-8H2,1-4H3
InChIKeyCBQIOIRGWPXBAO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.81
Rot. Bonds4

About tert-butyl 3-[cyclopropyl(methyl)amino]propanoate

tert-butyl 3-[cyclopropyl(methyl)amino]propanoate (PubChem CID 115590859) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl 3-[cyclopropyl(methyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[cyclopropyl(methyl)amino]propanoate
PubChem CID115590859
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl 3-[cyclopropyl(methyl)amino]propanoate
SMILESCN(CCC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C11H21NO2/c1-11(2,3)14-10(13)7-8-12(4)9-5-6-9/h9H,5-8H2,1-4H3
InChIKeyCBQIOIRGWPXBAO-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[methyl-(2-methylcyclohexyl)amino]propanoate
CID 115884818
tert-butyl 4-[2-[cyclopropyl(methyl)amino]ethylamino]-4-oxobutanoate
CID 106707401
tert-butyl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate
CID 62977597
tert-butyl 3-[cyclopropyl(cyclopropylmethyl)amino]propanoate
CID 115609763
tert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate
CID 63318559
ditert-butyl pentanedioate
CID 3016405
tert-butyl 4-[cyclopropyl(cyclopropylmethyl)amino]-4-oxobutanoate
CID 106707495
1-[cyclopentyl(methyl)amino]-4,4-dimethylpentan-3-one
CID 62622965
tert-butyl 4-(dimethylamino)-4-oxobutanoate
CID 106706987
tert-butyl 2-[methyl(oxetan-3-yl)amino]acetate
CID 163286790
tert-butyl N-[4-[methyl(2-methylsulfonylethyl)amino]cyclohexyl]carbamate
CID 126578176
tert-butyl N-cyclopropyl-N-(3-oxohex-5-ynyl)carbamate
CID 165471654

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[cyclopropyl(methyl)amino]propanoate?
The IUPAC name of tert-butyl 3-[cyclopropyl(methyl)amino]propanoate (CID 115590859) is tert-butyl 3-[cyclopropyl(methyl)amino]propanoate.
What is the SMILES notation for tert-butyl 3-[cyclopropyl(methyl)amino]propanoate?
The canonical SMILES for tert-butyl 3-[cyclopropyl(methyl)amino]propanoate is CN(CCC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl 3-[cyclopropyl(methyl)amino]propanoate?
The InChIKey is CBQIOIRGWPXBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)14-10(13)7-8-12(4)9-5-6-9/h9H,5-8H2,1-4H3.
What are the key properties of tert-butyl 3-[cyclopropyl(methyl)amino]propanoate?
tert-butyl 3-[cyclopropyl(methyl)amino]propanoate has a molecular weight of 199.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[cyclopropyl(methyl)amino]propanoate is sourced from PubChem (CID 115590859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).