tert-butyl (3S)-3-[di(propan-2-yl)amino]butanoate

C14H29NO2 — CID 134918916

IUPACtert-butyl (3S)-3-[di(propan-2-yl)amino]butanoate
SMILESCC(C)N(C(C)C)[C@@H](C)CC(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO2/c1-10(2)15(11(3)4)12(5)9-13(16)17-14(6,7)8/h10-12H,9H2,1-8H3/t12-/m0/s1
InChIKeyTYSIUGBTOMDRDE-LBPRGKRZSA-N
MW243.39 g/mol
LogP3.23
Rot. Bonds5

About tert-butyl (3S)-3-[di(propan-2-yl)amino]butanoate

tert-butyl (3S)-3-[di(propan-2-yl)amino]butanoate (PubChem CID 134918916) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is tert-butyl (3S)-3-[di(propan-2-yl)amino]butanoate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[di(propan-2-yl)amino]butanoate
PubChem CID134918916
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Nametert-butyl (3S)-3-[di(propan-2-yl)amino]butanoate
SMILESCC(C)N(C(C)C)[C@@H](C)CC(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO2/c1-10(2)15(11(3)4)12(5)9-13(16)17-14(6,7)8/h10-12H,9H2,1-8H3/t12-/m0/s1
InChIKeyTYSIUGBTOMDRDE-LBPRGKRZSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[di(propan-2-yl)amino]butanoate?
The IUPAC name of tert-butyl (3S)-3-[di(propan-2-yl)amino]butanoate (CID 134918916) is tert-butyl (3S)-3-[di(propan-2-yl)amino]butanoate.
What is the SMILES notation for tert-butyl (3S)-3-[di(propan-2-yl)amino]butanoate?
The canonical SMILES for tert-butyl (3S)-3-[di(propan-2-yl)amino]butanoate is CC(C)N(C(C)C)[C@@H](C)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3S)-3-[di(propan-2-yl)amino]butanoate?
The InChIKey is TYSIUGBTOMDRDE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H29NO2/c1-10(2)15(11(3)4)12(5)9-13(16)17-14(6,7)8/h10-12H,9H2,1-8H3/t12-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[di(propan-2-yl)amino]butanoate?
tert-butyl (3S)-3-[di(propan-2-yl)amino]butanoate has a molecular weight of 243.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[di(propan-2-yl)amino]butanoate is sourced from PubChem (CID 134918916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).