methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

C10H19NO4 — CID 11458612

IUPACmethyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCOC(=O)C[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-7(6-8(12)14-5)11-9(13)15-10(2,3)4/h7H,6H2,1-5H3,(H,11,13)/t7-/m1/s1
InChIKeySUHJJLDEYCLBFT-SSDOTTSWSA-N
MW217.26 g/mol
LogP1.46
Rot. Bonds3

About methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (PubChem CID 11458612) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
PubChem CID11458612
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCOC(=O)C[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-7(6-8(12)14-5)11-9(13)15-10(2,3)4/h7H,6H2,1-5H3,(H,11,13)/t7-/m1/s1
InChIKeySUHJJLDEYCLBFT-SSDOTTSWSA-N
XLogP1.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The IUPAC name of methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (CID 11458612) is methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
What is the SMILES notation for methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The canonical SMILES for methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is COC(=O)C[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The InChIKey is SUHJJLDEYCLBFT-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H19NO4/c1-7(6-8(12)14-5)11-9(13)15-10(2,3)4/h7H,6H2,1-5H3,(H,11,13)/t7-/m1/s1.
What are the key properties of methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate has a molecular weight of 217.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is sourced from PubChem (CID 11458612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).