methyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate

C18H19NO5 — CID 15837581

IUPACmethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)[C@@H](O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO5/c1-23-17(21)16(20)15(14-10-6-3-7-11-14)19-18(22)24-12-13-8-4-2-5-9-13/h2-11,15-16,20H,12H2,1H3,(H,19,22)/t15-,16+/m1/s1
InChIKeySIYFGCVABWAJCX-CVEARBPZSA-N
MW329.35 g/mol
LogP2.19
Rot. Bonds6

About methyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate

methyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate (PubChem CID 15837581) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
PubChem CID15837581
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namemethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)[C@@H](O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO5/c1-23-17(21)16(20)15(14-10-6-3-7-11-14)19-18(22)24-12-13-8-4-2-5-9-13/h2-11,15-16,20H,12H2,1H3,(H,19,22)/t15-,16+/m1/s1
InChIKeySIYFGCVABWAJCX-CVEARBPZSA-N
XLogP2.19
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 22865507
ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 139832996
(2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 15839659
ethyl (2S)-2-hydroxy-3-(4-methylphenyl)-3-(phenylmethoxycarbonylamino)propanoate
CID 90141045
methyl (2R,3S)-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoate
CID 56634953
benzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate
CID 139989757
methyl (2R,3S)-2-hydroxy-3-phenyl-3-(2,2,2-trichloroethoxycarbonylamino)propanoate
CID 11545199
methyl (2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 100937559
methyl (2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoate
CID 11046151
(2S,3R)-2-amino-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 25136290
benzyl N-[(2S)-2,3-dihydroxy-1-(4-methoxyphenyl)propyl]carbamate
CID 126575938
benzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate
CID 102178448

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of methyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate (CID 15837581) is methyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for methyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for methyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate is COC(=O)[C@@H](O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is SIYFGCVABWAJCX-CVEARBPZSA-N. The full InChI is InChI=1S/C18H19NO5/c1-23-17(21)16(20)15(14-10-6-3-7-11-14)19-18(22)24-12-13-8-4-2-5-9-13/h2-11,15-16,20H,12H2,1H3,(H,19,22)/t15-,16+/m1/s1.
What are the key properties of methyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate?
methyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 329.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 15837581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).