methyl 3-hydroxy-2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)propanoate

C13H17NO6 — CID 86193669

IUPACmethyl 3-hydroxy-2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)C(CO)(CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H17NO6/c1-19-11(17)13(8-15,9-16)14-12(18)20-7-10-5-3-2-4-6-10/h2-6,15-16H,7-9H2,1H3,(H,14,18)
InChIKeyMIMXTZLIZOGBDS-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.19
Rot. Bonds6

About methyl 3-hydroxy-2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)propanoate

methyl 3-hydroxy-2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)propanoate (PubChem CID 86193669) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)propanoate
PubChem CID86193669
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Namemethyl 3-hydroxy-2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)C(CO)(CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H17NO6/c1-19-11(17)13(8-15,9-16)14-12(18)20-7-10-5-3-2-4-6-10/h2-6,15-16H,7-9H2,1H3,(H,14,18)
InChIKeyMIMXTZLIZOGBDS-UHFFFAOYSA-N
XLogP-0.19
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S)-2-benzyl-2-(phenylmethoxycarbonylamino)pent-4-enoate
CID 18648848
methyl 2-hydroxy-3-oxo-2-(phenylmethoxycarbonylamino)butanoate
CID 101462496
methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 140762631
(2S)-2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)octanoic acid
CID 102156457
methyl (2S)-3,3,3-trifluoro-2-methyl-2-(phenylmethoxycarbonylamino)propanoate
CID 102354501
methyl (2R)-2-benzyl-4-cyclohexyl-2-(phenylmethoxycarbonylamino)butanoate
CID 46180296
benzyl N-(2-benzyl-1,3-dihydroxypropan-2-yl)carbamate
CID 102156454
methyl 2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanethioyl]amino]propanoate
CID 100978063
lithium benzyl N-(2-methylbut-3-yn-2-yl)carbamate
CID 87939839
methyl 2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)but-3-enoate
CID 14561229
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate
CID 15042555

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of methyl 3-hydroxy-2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)propanoate (CID 86193669) is methyl 3-hydroxy-2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for methyl 3-hydroxy-2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)propanoate is COC(=O)C(CO)(CO)NC(=O)OCc1ccccc1.
What is the InChIKey of methyl 3-hydroxy-2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is MIMXTZLIZOGBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6/c1-19-11(17)13(8-15,9-16)14-12(18)20-7-10-5-3-2-4-6-10/h2-6,15-16H,7-9H2,1H3,(H,14,18).
What are the key properties of methyl 3-hydroxy-2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)propanoate?
methyl 3-hydroxy-2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 283.28 g/mol, XLogP of -0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 86193669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).