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

C19H23N3O2 — CID 54397413

IUPAC(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
SMILESCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-21-19(24)17(13-15-10-6-3-7-11-15)22-18(23)16(20)12-14-8-4-2-5-9-14/h2-11,16-17H,12-13,20H2,1H3,(H,21,24)(H,22,23)/t16-,17-/m0/s1
InChIKeyVKZHEBWHIAUPNW-IRXDYDNUSA-N
MW325.41 g/mol
LogP1.03
Rot. Bonds7

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

(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide (PubChem CID 54397413) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
PubChem CID54397413
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
SMILESCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-21-19(24)17(13-15-10-6-3-7-11-15)22-18(23)16(20)12-14-8-4-2-5-9-14/h2-11,16-17H,12-13,20H2,1H3,(H,21,24)(H,22,23)/t16-,17-/m0/s1
InChIKeyVKZHEBWHIAUPNW-IRXDYDNUSA-N
XLogP1.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.03
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-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide (CID 54397413) is (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide is CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide?
The InChIKey is VKZHEBWHIAUPNW-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-21-19(24)17(13-15-10-6-3-7-11-15)22-18(23)16(20)12-14-8-4-2-5-9-14/h2-11,16-17H,12-13,20H2,1H3,(H,21,24)(H,22,23)/t16-,17-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide?
(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide has a molecular weight of 325.41 g/mol, XLogP of 1.03, 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-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 54397413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).