(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate

C19H19N2O4- — CID 2282453

IUPAC(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate
SMILESC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)[O-]
InChIInChI=1S/C19H20N2O4/c1-13(19(24)25)20-18(23)16(12-14-8-4-2-5-9-14)21-17(22)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,20,23)(H,21,22)(H,24,25)/p-1/t13-,16+/m0/s1
InChIKeyRTSMBLLZBBYZQP-XJKSGUPXSA-M
MW339.37 g/mol
LogP0.28
Rot. Bonds7

About (2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate

(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate (PubChem CID 2282453) has the molecular formula C19H19N2O4- and a molecular weight of 339.37 g/mol. Its IUPAC name is (2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate.

Molecular Properties

Compound Name(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate
PubChem CID2282453
Molecular FormulaC19H19N2O4-
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate
SMILESC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)[O-]
InChIInChI=1S/C19H20N2O4/c1-13(19(24)25)20-18(23)16(12-14-8-4-2-5-9-14)21-17(22)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,20,23)(H,21,22)(H,24,25)/p-1/t13-,16+/m0/s1
InChIKeyRTSMBLLZBBYZQP-XJKSGUPXSA-M
XLogP0.28
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate
CID 2282482
(2S)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate
CID 2282480
2-[[(2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]propanoyl]amino]acetic acid
CID 71135839
N-[1-[3-[(2-benzamido-3-phenylpropanoyl)amino]butylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 123444182
3-[(2-benzamido-3-phenylpropanoyl)amino]butanoic acid
CID 119220838
N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
CID 9120177
N-[(2R)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 56597575
(2R)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-3-methylbutanoic acid
CID 2282526
(2S)-2-[[(2S)-2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid
CID 102602635
N-[(2S)-1-[[(2S)-1-[(2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 88568383
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoate
CID 2282514
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 7324596

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate?
The IUPAC name of (2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate (CID 2282453) is (2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate.
What is the SMILES notation for (2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate?
The canonical SMILES for (2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate is C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)[O-].
What is the InChIKey of (2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate?
The InChIKey is RTSMBLLZBBYZQP-XJKSGUPXSA-M. The full InChI is InChI=1S/C19H20N2O4/c1-13(19(24)25)20-18(23)16(12-14-8-4-2-5-9-14)21-17(22)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,20,23)(H,21,22)(H,24,25)/p-1/t13-,16+/m0/s1.
What are the key properties of (2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate?
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate has a molecular weight of 339.37 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate is sourced from PubChem (CID 2282453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).