tert-butyl 4-[2-[cyclopropyl(methyl)amino]ethylamino]-4-oxobutanoate

C14H26N2O3 — CID 106707401

IUPACtert-butyl 4-[2-[cyclopropyl(methyl)amino]ethylamino]-4-oxobutanoate
SMILESCN(CCNC(=O)CCC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)8-7-12(17)15-9-10-16(4)11-5-6-11/h11H,5-10H2,1-4H3,(H,15,17)
InChIKeyLMZXUCQTEQFRNX-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.32
Rot. Bonds7

About tert-butyl 4-[2-[cyclopropyl(methyl)amino]ethylamino]-4-oxobutanoate

tert-butyl 4-[2-[cyclopropyl(methyl)amino]ethylamino]-4-oxobutanoate (PubChem CID 106707401) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 4-[2-[cyclopropyl(methyl)amino]ethylamino]-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-[2-[cyclopropyl(methyl)amino]ethylamino]-4-oxobutanoate
PubChem CID106707401
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 4-[2-[cyclopropyl(methyl)amino]ethylamino]-4-oxobutanoate
SMILESCN(CCNC(=O)CCC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)8-7-12(17)15-9-10-16(4)11-5-6-11/h11H,5-10H2,1-4H3,(H,15,17)
InChIKeyLMZXUCQTEQFRNX-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[cyclopropyl(methyl)amino]propanoate
CID 115590859
tert-butyl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate
CID 62977597
tert-butyl 4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 106707567
tert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate
CID 63318559
3-(tert-butylamino)-N-[2-[cyclopentyl(methyl)amino]ethyl]propanamide
CID 63315852
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 62059016
tert-butyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate
CID 106707456
tert-butyl N-[2-[(4,4-difluorocyclohexyl)-methylamino]ethyl]carbamate
CID 139389518
tert-butyl 4-[[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 106707309
tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate
CID 106706920
tert-butyl 4-(ethylamino)-4-oxobutanoate
CID 106706793
2-(cyclopropylmethylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride
CID 119863864

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[cyclopropyl(methyl)amino]ethylamino]-4-oxobutanoate?
The IUPAC name of tert-butyl 4-[2-[cyclopropyl(methyl)amino]ethylamino]-4-oxobutanoate (CID 106707401) is tert-butyl 4-[2-[cyclopropyl(methyl)amino]ethylamino]-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-[2-[cyclopropyl(methyl)amino]ethylamino]-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-[2-[cyclopropyl(methyl)amino]ethylamino]-4-oxobutanoate is CN(CCNC(=O)CCC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl 4-[2-[cyclopropyl(methyl)amino]ethylamino]-4-oxobutanoate?
The InChIKey is LMZXUCQTEQFRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)8-7-12(17)15-9-10-16(4)11-5-6-11/h11H,5-10H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl 4-[2-[cyclopropyl(methyl)amino]ethylamino]-4-oxobutanoate?
tert-butyl 4-[2-[cyclopropyl(methyl)amino]ethylamino]-4-oxobutanoate has a molecular weight of 270.37 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[cyclopropyl(methyl)amino]ethylamino]-4-oxobutanoate is sourced from PubChem (CID 106707401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).