(2S)-2-amino-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide

C18H21N3O2 — CID 7088460

IUPAC(2S)-2-amino-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
SMILESNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C18H21N3O2/c19-15(11-13-7-3-1-4-8-13)18(23)21-16(17(20)22)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H2,20,22)(H,21,23)/t15-,16+/m0/s1
InChIKeyXXPXQEQOAZMUDD-JKSUJKDBSA-N
MW311.38 g/mol
LogP0.77
Rot. Bonds7

About (2S)-2-amino-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide

(2S)-2-amino-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide (PubChem CID 7088460) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
PubChem CID7088460
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(2S)-2-amino-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
SMILESNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C18H21N3O2/c19-15(11-13-7-3-1-4-8-13)18(23)21-16(17(20)22)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H2,20,22)(H,21,23)/t15-,16+/m0/s1
InChIKeyXXPXQEQOAZMUDD-JKSUJKDBSA-N
XLogP0.77
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide (CID 7088460) is (2S)-2-amino-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide is NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide?
The InChIKey is XXPXQEQOAZMUDD-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H21N3O2/c19-15(11-13-7-3-1-4-8-13)18(23)21-16(17(20)22)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H2,20,22)(H,21,23)/t15-,16+/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide?
(2S)-2-amino-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide has a molecular weight of 311.38 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 7088460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).