methyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoate

C16H23NO5 — CID 14629315

IUPACmethyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)[C@H](COC(C)(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C16H23NO5/c1-16(2,3)22-11-13(14(18)20-4)17-15(19)21-10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,17,19)/t13-/m0/s1
InChIKeyUMAXPCYVVRYQNO-ZDUSSCGKSA-N
MW309.36 g/mol
LogP2.27
Rot. Bonds6

About methyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoate

methyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoate (PubChem CID 14629315) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is methyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoate
PubChem CID14629315
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Namemethyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)[C@H](COC(C)(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C16H23NO5/c1-16(2,3)22-11-13(14(18)20-4)17-15(19)21-10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,17,19)/t13-/m0/s1
InChIKeyUMAXPCYVVRYQNO-ZDUSSCGKSA-N
XLogP2.27
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of methyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoate (CID 14629315) is methyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for methyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for methyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoate is COC(=O)[C@H](COC(C)(C)C)NC(=O)OCc1ccccc1.
What is the InChIKey of methyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is UMAXPCYVVRYQNO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23NO5/c1-16(2,3)22-11-13(14(18)20-4)17-15(19)21-10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,17,19)/t13-/m0/s1.
What are the key properties of methyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoate?
methyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 309.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 14629315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).