methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate

C11H21NO4 — CID 170726340

IUPACmethyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
SMILESCC[C@@H](C(=O)OC)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-7-8(9(13)15-6)12(5)10(14)16-11(2,3)4/h8H,7H2,1-6H3/t8-/m0/s1
InChIKeyUUGWBBAVSGXCNA-QMMMGPOBSA-N
MW231.29 g/mol
LogP1.80
Rot. Bonds3

About methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate

methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate (PubChem CID 170726340) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
PubChem CID170726340
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
SMILESCC[C@@H](C(=O)OC)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-7-8(9(13)15-6)12(5)10(14)16-11(2,3)4/h8H,7H2,1-6H3/t8-/m0/s1
InChIKeyUUGWBBAVSGXCNA-QMMMGPOBSA-N
XLogP1.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
The IUPAC name of methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate (CID 170726340) is methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate.
What is the SMILES notation for methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
The canonical SMILES for methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate is CC[C@@H](C(=O)OC)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
The InChIKey is UUGWBBAVSGXCNA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21NO4/c1-7-8(9(13)15-6)12(5)10(14)16-11(2,3)4/h8H,7H2,1-6H3/t8-/m0/s1.
What are the key properties of methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate has a molecular weight of 231.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate is sourced from PubChem (CID 170726340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).