methyl (2S)-2-[(2-methoxyphenyl)carbamoyloxy]-2,3,3-trimethylbutanoate

C16H23NO5 — CID 102497002

IUPACmethyl (2S)-2-[(2-methoxyphenyl)carbamoyloxy]-2,3,3-trimethylbutanoate
SMILESCOC(=O)[C@@](C)(OC(=O)Nc1ccccc1OC)C(C)(C)C
InChIInChI=1S/C16H23NO5/c1-15(2,3)16(4,13(18)21-6)22-14(19)17-11-9-7-8-10-12(11)20-5/h7-10H,1-6H3,(H,17,19)/t16-/m1/s1
InChIKeyDDWUTXDEGDGZQI-MRXNPFEDSA-N
MW309.36 g/mol
LogP3.22
Rot. Bonds4

About methyl (2S)-2-[(2-methoxyphenyl)carbamoyloxy]-2,3,3-trimethylbutanoate

methyl (2S)-2-[(2-methoxyphenyl)carbamoyloxy]-2,3,3-trimethylbutanoate (PubChem CID 102497002) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is methyl (2S)-2-[(2-methoxyphenyl)carbamoyloxy]-2,3,3-trimethylbutanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2-methoxyphenyl)carbamoyloxy]-2,3,3-trimethylbutanoate
PubChem CID102497002
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Namemethyl (2S)-2-[(2-methoxyphenyl)carbamoyloxy]-2,3,3-trimethylbutanoate
SMILESCOC(=O)[C@@](C)(OC(=O)Nc1ccccc1OC)C(C)(C)C
InChIInChI=1S/C16H23NO5/c1-15(2,3)16(4,13(18)21-6)22-14(19)17-11-9-7-8-10-12(11)20-5/h7-10H,1-6H3,(H,17,19)/t16-/m1/s1
InChIKeyDDWUTXDEGDGZQI-MRXNPFEDSA-N
XLogP3.22
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2-methoxyphenyl)carbamoyloxy]-2,3,3-trimethylbutanoate?
The IUPAC name of methyl (2S)-2-[(2-methoxyphenyl)carbamoyloxy]-2,3,3-trimethylbutanoate (CID 102497002) is methyl (2S)-2-[(2-methoxyphenyl)carbamoyloxy]-2,3,3-trimethylbutanoate.
What is the SMILES notation for methyl (2S)-2-[(2-methoxyphenyl)carbamoyloxy]-2,3,3-trimethylbutanoate?
The canonical SMILES for methyl (2S)-2-[(2-methoxyphenyl)carbamoyloxy]-2,3,3-trimethylbutanoate is COC(=O)[C@@](C)(OC(=O)Nc1ccccc1OC)C(C)(C)C.
What is the InChIKey of methyl (2S)-2-[(2-methoxyphenyl)carbamoyloxy]-2,3,3-trimethylbutanoate?
The InChIKey is DDWUTXDEGDGZQI-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23NO5/c1-15(2,3)16(4,13(18)21-6)22-14(19)17-11-9-7-8-10-12(11)20-5/h7-10H,1-6H3,(H,17,19)/t16-/m1/s1.
What are the key properties of methyl (2S)-2-[(2-methoxyphenyl)carbamoyloxy]-2,3,3-trimethylbutanoate?
methyl (2S)-2-[(2-methoxyphenyl)carbamoyloxy]-2,3,3-trimethylbutanoate has a molecular weight of 309.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2-methoxyphenyl)carbamoyloxy]-2,3,3-trimethylbutanoate is sourced from PubChem (CID 102497002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).