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

C16H23NO5 — CID 72737084

IUPACmethyl (3R)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cccc(OC)c1
InChIInChI=1S/C16H23NO5/c1-16(2,3)22-15(19)17-13(10-14(18)21-5)11-7-6-8-12(9-11)20-4/h6-9,13H,10H2,1-5H3,(H,17,19)/t13-/m1/s1
InChIKeyIKCBAIMGMPXTJB-CYBMUJFWSA-N
MW309.36 g/mol
LogP2.82
Rot. Bonds5

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

methyl (3R)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 72737084) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is methyl (3R)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID72737084
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Namemethyl (3R)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cccc(OC)c1
InChIInChI=1S/C16H23NO5/c1-16(2,3)22-15(19)17-13(10-14(18)21-5)11-7-6-8-12(9-11)20-4/h6-9,13H,10H2,1-5H3,(H,17,19)/t13-/m1/s1
InChIKeyIKCBAIMGMPXTJB-CYBMUJFWSA-N
XLogP2.82
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of methyl (3R)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 72737084) is methyl (3R)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for methyl (3R)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for methyl (3R)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is COC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cccc(OC)c1.
What is the InChIKey of methyl (3R)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is IKCBAIMGMPXTJB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23NO5/c1-16(2,3)22-15(19)17-13(10-14(18)21-5)11-7-6-8-12(9-11)20-4/h6-9,13H,10H2,1-5H3,(H,17,19)/t13-/m1/s1.
What are the key properties of methyl (3R)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
methyl (3R)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 309.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 72737084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).