(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanamide

C20H23N3O3 — CID 11100291

IUPAC(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanamide
SMILESCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C20H23N3O3/c1-14(24)22-18(13-16-10-6-3-7-11-16)20(26)23-17(19(21)25)12-15-8-4-2-5-9-15/h2-11,17-18H,12-13H2,1H3,(H2,21,25)(H,22,24)(H,23,26)/t17-,18-/m0/s1
InChIKeyMRIDWVSVNKEVEJ-ROUUACIJSA-N
MW353.42 g/mol
LogP0.95
Rot. Bonds8

About (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanamide

(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanamide (PubChem CID 11100291) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanamide
PubChem CID11100291
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanamide
SMILESCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C20H23N3O3/c1-14(24)22-18(13-16-10-6-3-7-11-16)20(26)23-17(19(21)25)12-15-8-4-2-5-9-15/h2-11,17-18H,12-13H2,1H3,(H2,21,25)(H,22,24)(H,23,26)/t17-,18-/m0/s1
InChIKeyMRIDWVSVNKEVEJ-ROUUACIJSA-N
XLogP0.95
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanamide?
The IUPAC name of (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanamide (CID 11100291) is (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanamide is CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O.
What is the InChIKey of (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanamide?
The InChIKey is MRIDWVSVNKEVEJ-ROUUACIJSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14(24)22-18(13-16-10-6-3-7-11-16)20(26)23-17(19(21)25)12-15-8-4-2-5-9-15/h2-11,17-18H,12-13H2,1H3,(H2,21,25)(H,22,24)(H,23,26)/t17-,18-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanamide?
(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanamide has a molecular weight of 353.42 g/mol, XLogP of 0.95, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 11100291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).