propan-2-yl (2R,3S)-2-hydroxy-3-phenyl-3-[(2-phenylacetyl)amino]propanoate

C20H23NO4 — CID 102238912

IUPACpropan-2-yl (2R,3S)-2-hydroxy-3-phenyl-3-[(2-phenylacetyl)amino]propanoate
SMILESCC(C)OC(=O)[C@H](O)[C@@H](NC(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO4/c1-14(2)25-20(24)19(23)18(16-11-7-4-8-12-16)21-17(22)13-15-9-5-3-6-10-15/h3-12,14,18-19,23H,13H2,1-2H3,(H,21,22)/t18-,19+/m0/s1
InChIKeySLRDKDZLLLRODB-RBUKOAKNSA-N
MW341.41 g/mol
LogP2.40
Rot. Bonds7

About propan-2-yl (2R,3S)-2-hydroxy-3-phenyl-3-[(2-phenylacetyl)amino]propanoate

propan-2-yl (2R,3S)-2-hydroxy-3-phenyl-3-[(2-phenylacetyl)amino]propanoate (PubChem CID 102238912) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is propan-2-yl (2R,3S)-2-hydroxy-3-phenyl-3-[(2-phenylacetyl)amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl (2R,3S)-2-hydroxy-3-phenyl-3-[(2-phenylacetyl)amino]propanoate
PubChem CID102238912
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namepropan-2-yl (2R,3S)-2-hydroxy-3-phenyl-3-[(2-phenylacetyl)amino]propanoate
SMILESCC(C)OC(=O)[C@H](O)[C@@H](NC(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO4/c1-14(2)25-20(24)19(23)18(16-11-7-4-8-12-16)21-17(22)13-15-9-5-3-6-10-15/h3-12,14,18-19,23H,13H2,1-2H3,(H,21,22)/t18-,19+/m0/s1
InChIKeySLRDKDZLLLRODB-RBUKOAKNSA-N
XLogP2.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl (2R,3S)-3-acetamido-2-hydroxy-3-phenylpropanoate
CID 10956433
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250
N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-phenylphenyl)acetamide
CID 2215611
methyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 15837581
methyl (3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 22865507
dipropan-2-yl (2R,3S)-2-benzyl-3-hydroxybutanedioate
CID 14264444
ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 139832996
methyl 3-(benzylamino)-2-hydroxy-3-phenylpropanoate
CID 67427493
benzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate
CID 102178448
(2R,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid
CID 99849385
(2S)-2-[(2-phenylacetyl)amino]propanamide
CID 15719285

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R,3S)-2-hydroxy-3-phenyl-3-[(2-phenylacetyl)amino]propanoate?
The IUPAC name of propan-2-yl (2R,3S)-2-hydroxy-3-phenyl-3-[(2-phenylacetyl)amino]propanoate (CID 102238912) is propan-2-yl (2R,3S)-2-hydroxy-3-phenyl-3-[(2-phenylacetyl)amino]propanoate.
What is the SMILES notation for propan-2-yl (2R,3S)-2-hydroxy-3-phenyl-3-[(2-phenylacetyl)amino]propanoate?
The canonical SMILES for propan-2-yl (2R,3S)-2-hydroxy-3-phenyl-3-[(2-phenylacetyl)amino]propanoate is CC(C)OC(=O)[C@H](O)[C@@H](NC(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of propan-2-yl (2R,3S)-2-hydroxy-3-phenyl-3-[(2-phenylacetyl)amino]propanoate?
The InChIKey is SLRDKDZLLLRODB-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14(2)25-20(24)19(23)18(16-11-7-4-8-12-16)21-17(22)13-15-9-5-3-6-10-15/h3-12,14,18-19,23H,13H2,1-2H3,(H,21,22)/t18-,19+/m0/s1.
What are the key properties of propan-2-yl (2R,3S)-2-hydroxy-3-phenyl-3-[(2-phenylacetyl)amino]propanoate?
propan-2-yl (2R,3S)-2-hydroxy-3-phenyl-3-[(2-phenylacetyl)amino]propanoate has a molecular weight of 341.41 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R,3S)-2-hydroxy-3-phenyl-3-[(2-phenylacetyl)amino]propanoate is sourced from PubChem (CID 102238912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).