tert-butyl 2-[[(2S)-2-methylpentyl]amino]acetate

C12H25NO2 — CID 87412181

IUPACtert-butyl 2-[[(2S)-2-methylpentyl]amino]acetate
SMILESCCC[C@H](C)CNCC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-6-7-10(2)8-13-9-11(14)15-12(3,4)5/h10,13H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyBDCQZJMOIACFGX-JTQLQIEISA-N
MW215.34 g/mol
LogP2.35
Rot. Bonds6

About tert-butyl 2-[[(2S)-2-methylpentyl]amino]acetate

tert-butyl 2-[[(2S)-2-methylpentyl]amino]acetate (PubChem CID 87412181) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is tert-butyl 2-[[(2S)-2-methylpentyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[(2S)-2-methylpentyl]amino]acetate
PubChem CID87412181
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nametert-butyl 2-[[(2S)-2-methylpentyl]amino]acetate
SMILESCCC[C@H](C)CNCC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-6-7-10(2)8-13-9-11(14)15-12(3,4)5/h10,13H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyBDCQZJMOIACFGX-JTQLQIEISA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(2S)-2-methylpentyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[(2S)-2-methylpentyl]amino]acetate (CID 87412181) is tert-butyl 2-[[(2S)-2-methylpentyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[(2S)-2-methylpentyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[(2S)-2-methylpentyl]amino]acetate is CCC[C@H](C)CNCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[(2S)-2-methylpentyl]amino]acetate?
The InChIKey is BDCQZJMOIACFGX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-7-10(2)8-13-9-11(14)15-12(3,4)5/h10,13H,6-9H2,1-5H3/t10-/m0/s1.
What are the key properties of tert-butyl 2-[[(2S)-2-methylpentyl]amino]acetate?
tert-butyl 2-[[(2S)-2-methylpentyl]amino]acetate has a molecular weight of 215.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(2S)-2-methylpentyl]amino]acetate is sourced from PubChem (CID 87412181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).