(2S)-2-[[2-[benzoyl(benzyl)amino]acetyl]amino]propanoic acid

C19H20N2O4 — CID 157056155

IUPAC(2S)-2-[[2-[benzoyl(benzyl)amino]acetyl]amino]propanoic acid
SMILESC[C@H](NC(=O)CN(Cc1ccccc1)C(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C19H20N2O4/c1-14(19(24)25)20-17(22)13-21(12-15-8-4-2-5-9-15)18(23)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,22)(H,24,25)/t14-/m0/s1
InChIKeyAATXJGNXYVNTBW-AWEZNQCLSA-N
MW340.38 g/mol
LogP1.92
Rot. Bonds7

About (2S)-2-[[2-[benzoyl(benzyl)amino]acetyl]amino]propanoic acid

(2S)-2-[[2-[benzoyl(benzyl)amino]acetyl]amino]propanoic acid (PubChem CID 157056155) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (2S)-2-[[2-[benzoyl(benzyl)amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[benzoyl(benzyl)amino]acetyl]amino]propanoic acid
PubChem CID157056155
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(2S)-2-[[2-[benzoyl(benzyl)amino]acetyl]amino]propanoic acid
SMILESC[C@H](NC(=O)CN(Cc1ccccc1)C(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C19H20N2O4/c1-14(19(24)25)20-17(22)13-21(12-15-8-4-2-5-9-15)18(23)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,22)(H,24,25)/t14-/m0/s1
InChIKeyAATXJGNXYVNTBW-AWEZNQCLSA-N
XLogP1.92
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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[(1R)-1-[[2-[benzoyl(ethyl)amino]acetyl]amino]-2-phenylethoxy]boronic acid
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CID 25267872

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[benzoyl(benzyl)amino]acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-[benzoyl(benzyl)amino]acetyl]amino]propanoic acid (CID 157056155) is (2S)-2-[[2-[benzoyl(benzyl)amino]acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-[benzoyl(benzyl)amino]acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-[benzoyl(benzyl)amino]acetyl]amino]propanoic acid is C[C@H](NC(=O)CN(Cc1ccccc1)C(=O)c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-[benzoyl(benzyl)amino]acetyl]amino]propanoic acid?
The InChIKey is AATXJGNXYVNTBW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-14(19(24)25)20-17(22)13-21(12-15-8-4-2-5-9-15)18(23)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,22)(H,24,25)/t14-/m0/s1.
What are the key properties of (2S)-2-[[2-[benzoyl(benzyl)amino]acetyl]amino]propanoic acid?
(2S)-2-[[2-[benzoyl(benzyl)amino]acetyl]amino]propanoic acid has a molecular weight of 340.38 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[benzoyl(benzyl)amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 157056155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).