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

C19H21NO5 — CID 139832996

IUPACethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
SMILESCCOC(=O)[C@@H](O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO5/c1-2-24-18(22)17(21)16(15-11-7-4-8-12-15)20-19(23)25-13-14-9-5-3-6-10-14/h3-12,16-17,21H,2,13H2,1H3,(H,20,23)/t16-,17+/m1/s1
InChIKeyHZDKMGNFWBZGEY-SJORKVTESA-N
MW343.38 g/mol
LogP2.58
Rot. Bonds7

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

ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate (PubChem CID 139832996) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Nameethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
PubChem CID139832996
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Nameethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
SMILESCCOC(=O)[C@@H](O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO5/c1-2-24-18(22)17(21)16(15-11-7-4-8-12-15)20-19(23)25-13-14-9-5-3-6-10-14/h3-12,16-17,21H,2,13H2,1H3,(H,20,23)/t16-,17+/m1/s1
InChIKeyHZDKMGNFWBZGEY-SJORKVTESA-N
XLogP2.58
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-2-hydroxy-3-(4-methylphenyl)-3-(phenylmethoxycarbonylamino)propanoate
CID 90141045
methyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 15837581
methyl (3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 22865507
(2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 15839659
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
benzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate
CID 139989757
benzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate
CID 102178448
(2S,3R)-2-amino-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 25136290
ethyl 2-chloro-2-(phenylmethoxycarbonylamino)acetate
CID 14991414
ethyl (2R,3R)-3-chloro-4-ethoxy-2-hydroxy-4-(phenylmethoxycarbonylamino)butanoate
CID 102252786
ethyl 3-hydroxy-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 57331908
ethyl 2-(phenylmethoxycarbonylamino)-3-phenylsulfanylpropanoate
CID 57360885

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate (CID 139832996) is ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate is CCOC(=O)[C@@H](O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is HZDKMGNFWBZGEY-SJORKVTESA-N. The full InChI is InChI=1S/C19H21NO5/c1-2-24-18(22)17(21)16(15-11-7-4-8-12-15)20-19(23)25-13-14-9-5-3-6-10-14/h3-12,16-17,21H,2,13H2,1H3,(H,20,23)/t16-,17+/m1/s1.
What are the key properties of ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate?
ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 343.38 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 139832996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).