tert-butyl 4-cyclopropyl-4-(methylamino)butanoate

C12H23NO2 — CID 58488469

IUPACtert-butyl 4-cyclopropyl-4-(methylamino)butanoate
SMILESCNC(CCC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C12H23NO2/c1-12(2,3)15-11(14)8-7-10(13-4)9-5-6-9/h9-10,13H,5-8H2,1-4H3
InChIKeyFXOMVZRXXBNZGT-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds5

About tert-butyl 4-cyclopropyl-4-(methylamino)butanoate

tert-butyl 4-cyclopropyl-4-(methylamino)butanoate (PubChem CID 58488469) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl 4-cyclopropyl-4-(methylamino)butanoate.

Molecular Properties

Compound Nametert-butyl 4-cyclopropyl-4-(methylamino)butanoate
PubChem CID58488469
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl 4-cyclopropyl-4-(methylamino)butanoate
SMILESCNC(CCC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C12H23NO2/c1-12(2,3)15-11(14)8-7-10(13-4)9-5-6-9/h9-10,13H,5-8H2,1-4H3
InChIKeyFXOMVZRXXBNZGT-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-cyclohexyl-4-(methoxycarbonylamino)butanoate
CID 163923259
tert-butyl 4,4-bis(methylamino)butanoate
CID 89422372
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
(4R)-4-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 169118256
tert-butyl (4R)-4-aminopentanoate
CID 58781983
tert-butyl 4-methylpentanoate
CID 14724205
tert-butyl 3-(1-cyclohexylethylamino)propanoate
CID 103729841
tert-butyl (5R)-5-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopentanoate
CID 164726182
ditert-butyl (2R)-2-bromopentanedioate
CID 178130237
tert-butyl 4,5-diaminopentanoate
CID 54288904
(2R)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 7016383

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-cyclopropyl-4-(methylamino)butanoate?
The IUPAC name of tert-butyl 4-cyclopropyl-4-(methylamino)butanoate (CID 58488469) is tert-butyl 4-cyclopropyl-4-(methylamino)butanoate.
What is the SMILES notation for tert-butyl 4-cyclopropyl-4-(methylamino)butanoate?
The canonical SMILES for tert-butyl 4-cyclopropyl-4-(methylamino)butanoate is CNC(CCC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl 4-cyclopropyl-4-(methylamino)butanoate?
The InChIKey is FXOMVZRXXBNZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2,3)15-11(14)8-7-10(13-4)9-5-6-9/h9-10,13H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-cyclopropyl-4-(methylamino)butanoate?
tert-butyl 4-cyclopropyl-4-(methylamino)butanoate has a molecular weight of 213.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-cyclopropyl-4-(methylamino)butanoate is sourced from PubChem (CID 58488469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).