(2R)-2-[[(2R)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid

C20H22N2O6 — CID 78319243

IUPAC(2R)-2-[[(2R)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid
SMILESO=C(N[C@H](CO)C(=O)N[C@H](Cc1ccccc1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C20H22N2O6/c23-12-17(22-20(27)28-13-15-9-5-2-6-10-15)18(24)21-16(19(25)26)11-14-7-3-1-4-8-14/h1-10,16-17,23H,11-13H2,(H,21,24)(H,22,27)(H,25,26)/t16-,17-/m1/s1
InChIKeyMXIZAGIVBJDTSY-IAGOWNOFSA-N
MW386.40 g/mol
LogP1.09
Rot. Bonds9

About (2R)-2-[[(2R)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid

(2R)-2-[[(2R)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid (PubChem CID 78319243) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is (2R)-2-[[(2R)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid
PubChem CID78319243
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name(2R)-2-[[(2R)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid
SMILESO=C(N[C@H](CO)C(=O)N[C@H](Cc1ccccc1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C20H22N2O6/c23-12-17(22-20(27)28-13-15-9-5-2-6-10-15)18(24)21-16(19(25)26)11-14-7-3-1-4-8-14/h1-10,16-17,23H,11-13H2,(H,21,24)(H,22,27)(H,25,26)/t16-,17-/m1/s1
InChIKeyMXIZAGIVBJDTSY-IAGOWNOFSA-N
XLogP1.09
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-hydroxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
CID 6992454
(2S)-3-phenyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid
CID 59254472
benzyl N-[(2S)-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 44725010
benzyl N-[1-[(1-hydrazinyl-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 165355789
2-[[3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid
CID 13488140
benzyl N-[1-[(4-hydroxy-3-oxo-1-phenylbutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 3364674
(2R)-3-benzylsulfanyl-2-[[(2R)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
CID 3008170
(2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 7010375
(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-3-hydroxy-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CID 102508549
CID 67335724
CID 67335724
benzyl N-[(2S)-1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 177394473
(2S)-3-(4-aminophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 22309274

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[(2R)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid (CID 78319243) is (2R)-2-[[(2R)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[(2R)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[(2R)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid is O=C(N[C@H](CO)C(=O)N[C@H](Cc1ccccc1)C(=O)O)OCc1ccccc1.
What is the InChIKey of (2R)-2-[[(2R)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid?
The InChIKey is MXIZAGIVBJDTSY-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H22N2O6/c23-12-17(22-20(27)28-13-15-9-5-2-6-10-15)18(24)21-16(19(25)26)11-14-7-3-1-4-8-14/h1-10,16-17,23H,11-13H2,(H,21,24)(H,22,27)(H,25,26)/t16-,17-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid?
(2R)-2-[[(2R)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid has a molecular weight of 386.40 g/mol, XLogP of 1.09, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 78319243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).