tert-butyl 4-[cyclopropyl(cyclopropylmethyl)amino]-4-oxobutanoate

C15H25NO3 — CID 106707495

IUPACtert-butyl 4-[cyclopropyl(cyclopropylmethyl)amino]-4-oxobutanoate
SMILESCC(C)(C)OC(=O)CCC(=O)N(CC1CC1)C1CC1
InChIInChI=1S/C15H25NO3/c1-15(2,3)19-14(18)9-8-13(17)16(12-6-7-12)10-11-4-5-11/h11-12H,4-10H2,1-3H3
InChIKeyASXWHIVFIBWDRG-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.51
Rot. Bonds6

About tert-butyl 4-[cyclopropyl(cyclopropylmethyl)amino]-4-oxobutanoate

tert-butyl 4-[cyclopropyl(cyclopropylmethyl)amino]-4-oxobutanoate (PubChem CID 106707495) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl 4-[cyclopropyl(cyclopropylmethyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-[cyclopropyl(cyclopropylmethyl)amino]-4-oxobutanoate
PubChem CID106707495
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl 4-[cyclopropyl(cyclopropylmethyl)amino]-4-oxobutanoate
SMILESCC(C)(C)OC(=O)CCC(=O)N(CC1CC1)C1CC1
InChIInChI=1S/C15H25NO3/c1-15(2,3)19-14(18)9-8-13(17)16(12-6-7-12)10-11-4-5-11/h11-12H,4-10H2,1-3H3
InChIKeyASXWHIVFIBWDRG-UHFFFAOYSA-N
XLogP2.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[cyclopropyl(cyclopropylmethyl)amino]propanoate
CID 115609763
tert-butyl 4-[(2-amino-2-oxoethyl)-cyclopentylamino]-4-oxobutanoate
CID 106707244
tert-butyl 3-[cyclopropyl(methyl)amino]propanoate
CID 115590859
tert-butyl 4-(dimethylamino)-4-oxobutanoate
CID 106706987
tert-butyl 4-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-oxobutanoate
CID 106707461
tert-butyl 3-(4-ethylcyclohexyl)propanoate
CID 58103664
3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5,5-dimethylhexanamide
CID 113497065
ethyl N-cyclopropyl-N-(cyclopropylmethyl)carbamate
CID 63101705
tert-butyl 4-[2-[cyclopropyl(methyl)amino]ethylamino]-4-oxobutanoate
CID 106707401
N-cyclopropyl-N-(cyclopropylmethyl)cyclopropanecarboxamide
CID 63104396
tert-butyl 4-[(4-ethylcyclohexyl)amino]-4-oxobutanoate
CID 106707162
tert-butyl 4-[methyl(propyl)amino]-4-oxobutanoate
CID 106707015

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[cyclopropyl(cyclopropylmethyl)amino]-4-oxobutanoate?
The IUPAC name of tert-butyl 4-[cyclopropyl(cyclopropylmethyl)amino]-4-oxobutanoate (CID 106707495) is tert-butyl 4-[cyclopropyl(cyclopropylmethyl)amino]-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-[cyclopropyl(cyclopropylmethyl)amino]-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-[cyclopropyl(cyclopropylmethyl)amino]-4-oxobutanoate is CC(C)(C)OC(=O)CCC(=O)N(CC1CC1)C1CC1.
What is the InChIKey of tert-butyl 4-[cyclopropyl(cyclopropylmethyl)amino]-4-oxobutanoate?
The InChIKey is ASXWHIVFIBWDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,3)19-14(18)9-8-13(17)16(12-6-7-12)10-11-4-5-11/h11-12H,4-10H2,1-3H3.
What are the key properties of tert-butyl 4-[cyclopropyl(cyclopropylmethyl)amino]-4-oxobutanoate?
tert-butyl 4-[cyclopropyl(cyclopropylmethyl)amino]-4-oxobutanoate has a molecular weight of 267.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[cyclopropyl(cyclopropylmethyl)amino]-4-oxobutanoate is sourced from PubChem (CID 106707495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).