(2R)-2-benzamido-3-(N-phenylanilino)propanoic acid

C22H20N2O3 — CID 66987066

IUPAC(2R)-2-benzamido-3-(N-phenylanilino)propanoic acid
SMILESO=C(N[C@H](CN(c1ccccc1)c1ccccc1)C(=O)O)c1ccccc1
InChIInChI=1S/C22H20N2O3/c25-21(17-10-4-1-5-11-17)23-20(22(26)27)16-24(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2,(H,23,25)(H,26,27)/t20-/m1/s1
InChIKeyUDXKJLINNBKBOJ-HXUWFJFHSA-N
MW360.41 g/mol
LogP3.71
Rot. Bonds7

About (2R)-2-benzamido-3-(N-phenylanilino)propanoic acid

(2R)-2-benzamido-3-(N-phenylanilino)propanoic acid (PubChem CID 66987066) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2R)-2-benzamido-3-(N-phenylanilino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-benzamido-3-(N-phenylanilino)propanoic acid
PubChem CID66987066
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name(2R)-2-benzamido-3-(N-phenylanilino)propanoic acid
SMILESO=C(N[C@H](CN(c1ccccc1)c1ccccc1)C(=O)O)c1ccccc1
InChIInChI=1S/C22H20N2O3/c25-21(17-10-4-1-5-11-17)23-20(22(26)27)16-24(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2,(H,23,25)(H,26,27)/t20-/m1/s1
InChIKeyUDXKJLINNBKBOJ-HXUWFJFHSA-N
XLogP3.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-benzamido-3-bromopropanoic acid
CID 134897553
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(N-phenylanilino)propanoic acid
CID 68845700
2-benzamido-4-oxobutanoic acid
CID 19361902
(2S)-2-benzamido-4-phenylbutanoic acid
CID 22824842
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
2-benzamido-3-[4-(dimethylamino)phenyl]propanoic acid
CID 54792366
2-benzamido-4-methyl-5-oxohexanoic acid
CID 139610506
2-[[2-[2-(methylamino)pyrimidin-4-yl]-3H-benzimidazole-5-carbonyl]amino]-3-(N-phenylanilino)propanoic acid
CID 68948081
2-benzamido-4-methoxy-4-oxobutanoic acid;ethane
CID 142855999
(2S)-2-benzamido-4-chlorosulfanyl-4-oxobutanoic acid
CID 174297379
(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806
(2R)-3-acetylsulfanyl-2-benzamidopropanoic acid
CID 22837359

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzamido-3-(N-phenylanilino)propanoic acid?
The IUPAC name of (2R)-2-benzamido-3-(N-phenylanilino)propanoic acid (CID 66987066) is (2R)-2-benzamido-3-(N-phenylanilino)propanoic acid.
What is the SMILES notation for (2R)-2-benzamido-3-(N-phenylanilino)propanoic acid?
The canonical SMILES for (2R)-2-benzamido-3-(N-phenylanilino)propanoic acid is O=C(N[C@H](CN(c1ccccc1)c1ccccc1)C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-benzamido-3-(N-phenylanilino)propanoic acid?
The InChIKey is UDXKJLINNBKBOJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-21(17-10-4-1-5-11-17)23-20(22(26)27)16-24(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2,(H,23,25)(H,26,27)/t20-/m1/s1.
What are the key properties of (2R)-2-benzamido-3-(N-phenylanilino)propanoic acid?
(2R)-2-benzamido-3-(N-phenylanilino)propanoic acid has a molecular weight of 360.41 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzamido-3-(N-phenylanilino)propanoic acid is sourced from PubChem (CID 66987066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).