tert-butyl 2-(2-methylpropylamino)pentanoate

C13H27NO2 — CID 75458085

IUPACtert-butyl 2-(2-methylpropylamino)pentanoate
SMILESCCCC(NCC(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-7-8-11(14-9-10(2)3)12(15)16-13(4,5)6/h10-11,14H,7-9H2,1-6H3
InChIKeyHRUOTMZULXSUMR-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.74
Rot. Bonds6

About tert-butyl 2-(2-methylpropylamino)pentanoate

tert-butyl 2-(2-methylpropylamino)pentanoate (PubChem CID 75458085) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is tert-butyl 2-(2-methylpropylamino)pentanoate.

Molecular Properties

Compound Nametert-butyl 2-(2-methylpropylamino)pentanoate
PubChem CID75458085
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Nametert-butyl 2-(2-methylpropylamino)pentanoate
SMILESCCCC(NCC(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-7-8-11(14-9-10(2)3)12(15)16-13(4,5)6/h10-11,14H,7-9H2,1-6H3
InChIKeyHRUOTMZULXSUMR-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-methylpropylamino)pentanoate
CID 61001695
tert-butyl (2S)-2-(methylamino)pentanoate
CID 143115703
tert-butyl 2-(2-methylpropylamino)propanoate
CID 64688335
methyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]boronamidic acid
CID 88563098
tert-butyl (2S)-2-(2-hydroxydodecylamino)-4-methylpentanoate
CID 42638854
tert-butyl 2-(ethylamino)-4-methylpentanoate
CID 142936593
tert-butyl 2-(decylamino)decanoate
CID 151255865
tert-butyl (2S)-2-[[(2S)-2-aminobutyl]amino]butanoate
CID 170555643
tert-butyl N-[3-amino-2-(2-methylpropylamino)-3-oxopropyl]carbamate
CID 102730720
ethyl 2-(2-methylpropylamino)nonanoate
CID 55224125
ditert-butyl 2-methyl-5-propylhexanedioate
CID 175603524
tert-butyl (2R)-2-hydroxypentanoate
CID 90988150

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-methylpropylamino)pentanoate?
The IUPAC name of tert-butyl 2-(2-methylpropylamino)pentanoate (CID 75458085) is tert-butyl 2-(2-methylpropylamino)pentanoate.
What is the SMILES notation for tert-butyl 2-(2-methylpropylamino)pentanoate?
The canonical SMILES for tert-butyl 2-(2-methylpropylamino)pentanoate is CCCC(NCC(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-methylpropylamino)pentanoate?
The InChIKey is HRUOTMZULXSUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-7-8-11(14-9-10(2)3)12(15)16-13(4,5)6/h10-11,14H,7-9H2,1-6H3.
What are the key properties of tert-butyl 2-(2-methylpropylamino)pentanoate?
tert-butyl 2-(2-methylpropylamino)pentanoate has a molecular weight of 229.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methylpropylamino)pentanoate is sourced from PubChem (CID 75458085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).