tert-butyl 3-(pentan-2-ylamino)propanoate

C12H25NO2 — CID 46318488

IUPACtert-butyl 3-(pentan-2-ylamino)propanoate
SMILESCCCC(C)NCCC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-6-7-10(2)13-9-8-11(14)15-12(3,4)5/h10,13H,6-9H2,1-5H3
InChIKeyCZAYEBWYBQCNAX-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.50
Rot. Bonds6

About tert-butyl 3-(pentan-2-ylamino)propanoate

tert-butyl 3-(pentan-2-ylamino)propanoate (PubChem CID 46318488) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is tert-butyl 3-(pentan-2-ylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(pentan-2-ylamino)propanoate
PubChem CID46318488
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nametert-butyl 3-(pentan-2-ylamino)propanoate
SMILESCCCC(C)NCCC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-6-7-10(2)13-9-8-11(14)15-12(3,4)5/h10,13H,6-9H2,1-5H3
InChIKeyCZAYEBWYBQCNAX-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate
CID 104864475
tert-butyl 3-(4-methylsulfanylbutan-2-ylamino)propanoate
CID 103265875
tert-butyl 3-[[(2R)-5-(diethylamino)pentan-2-yl]amino]propanoate
CID 94133522
tert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate
CID 81344324
tert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate
CID 103237046
tert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate
CID 103781231
tert-butyl 2-(heptan-2-ylamino)acetate
CID 60680829
tert-butyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]propanoate
CID 103268735
tert-butyl 3-(propylamino)propanoate;ethane
CID 143325364
tert-butyl 4-methylpentanoate
CID 14724205
tert-butyl (3R)-3-(butanoylamino)butanoate
CID 149206745
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentan-2-amine
CID 62597643

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(pentan-2-ylamino)propanoate?
The IUPAC name of tert-butyl 3-(pentan-2-ylamino)propanoate (CID 46318488) is tert-butyl 3-(pentan-2-ylamino)propanoate.
What is the SMILES notation for tert-butyl 3-(pentan-2-ylamino)propanoate?
The canonical SMILES for tert-butyl 3-(pentan-2-ylamino)propanoate is CCCC(C)NCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(pentan-2-ylamino)propanoate?
The InChIKey is CZAYEBWYBQCNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-7-10(2)13-9-8-11(14)15-12(3,4)5/h10,13H,6-9H2,1-5H3.
What are the key properties of tert-butyl 3-(pentan-2-ylamino)propanoate?
tert-butyl 3-(pentan-2-ylamino)propanoate has a molecular weight of 215.34 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(pentan-2-ylamino)propanoate is sourced from PubChem (CID 46318488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).