(2S)-2-amino-N-[(2S)-1-amino-3-(2-methylphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide

C19H23N3O2 — CID 44611293

IUPAC(2S)-2-amino-N-[(2S)-1-amino-3-(2-methylphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide
SMILESCc1ccccc1C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O
InChIInChI=1S/C19H23N3O2/c1-13-7-5-6-10-15(13)12-17(18(21)23)22-19(24)16(20)11-14-8-3-2-4-9-14/h2-10,16-17H,11-12,20H2,1H3,(H2,21,23)(H,22,24)/t16-,17-/m0/s1
InChIKeyGLOHCSYXIQCSMI-IRXDYDNUSA-N
MW325.41 g/mol
LogP1.08
Rot. Bonds7

About (2S)-2-amino-N-[(2S)-1-amino-3-(2-methylphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide

(2S)-2-amino-N-[(2S)-1-amino-3-(2-methylphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide (PubChem CID 44611293) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-amino-3-(2-methylphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-amino-3-(2-methylphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide
PubChem CID44611293
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(2S)-2-amino-N-[(2S)-1-amino-3-(2-methylphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide
SMILESCc1ccccc1C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O
InChIInChI=1S/C19H23N3O2/c1-13-7-5-6-10-15(13)12-17(18(21)23)22-19(24)16(20)11-14-8-3-2-4-9-14/h2-10,16-17H,11-12,20H2,1H3,(H2,21,23)(H,22,24)/t16-,17-/m0/s1
InChIKeyGLOHCSYXIQCSMI-IRXDYDNUSA-N
XLogP1.08
TPSA98.21 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 ≤ 51.08
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-amino-3-(2-methylphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-amino-3-(2-methylphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide (CID 44611293) is (2S)-2-amino-N-[(2S)-1-amino-3-(2-methylphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-amino-3-(2-methylphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-amino-3-(2-methylphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide is Cc1ccccc1C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-amino-3-(2-methylphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide?
The InChIKey is GLOHCSYXIQCSMI-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-7-5-6-10-15(13)12-17(18(21)23)22-19(24)16(20)11-14-8-3-2-4-9-14/h2-10,16-17H,11-12,20H2,1H3,(H2,21,23)(H,22,24)/t16-,17-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-amino-3-(2-methylphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide?
(2S)-2-amino-N-[(2S)-1-amino-3-(2-methylphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide has a molecular weight of 325.41 g/mol, XLogP of 1.08, 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-amino-3-(2-methylphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 44611293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).