5-amino-2-[(2-amino-3-naphthalen-1-ylpropanoyl)-methylamino]-N-benzylpentanamide;2,2,2-trifluoroacetic acid

C28H33F3N4O4 — CID 23299160

IUPAC5-amino-2-[(2-amino-3-naphthalen-1-ylpropanoyl)-methylamino]-N-benzylpentanamide;2,2,2-trifluoroacetic acid
SMILESCN(C(=O)C(N)Cc1cccc2ccccc12)C(CCCN)C(=O)NCc1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H32N4O2.C2HF3O2/c1-30(24(15-8-16-27)25(31)29-18-19-9-3-2-4-10-19)26(32)23(28)17-21-13-7-12-20-11-5-6-14-22(20)21;3-2(4,5)1(6)7/h2-7,9-14,23-24H,8,15-18,27-28H2,1H3,(H,29,31);(H,6,7)
InChIKeyXRLOGCRMSJACCD-UHFFFAOYSA-N
MW546.59 g/mol
LogP3.23
Rot. Bonds10

About 5-amino-2-[(2-amino-3-naphthalen-1-ylpropanoyl)-methylamino]-N-benzylpentanamide;2,2,2-trifluoroacetic acid

5-amino-2-[(2-amino-3-naphthalen-1-ylpropanoyl)-methylamino]-N-benzylpentanamide;2,2,2-trifluoroacetic acid (PubChem CID 23299160) has the molecular formula C28H33F3N4O4 and a molecular weight of 546.59 g/mol. Its IUPAC name is 5-amino-2-[(2-amino-3-naphthalen-1-ylpropanoyl)-methylamino]-N-benzylpentanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-amino-2-[(2-amino-3-naphthalen-1-ylpropanoyl)-methylamino]-N-benzylpentanamide;2,2,2-trifluoroacetic acid
PubChem CID23299160
Molecular FormulaC28H33F3N4O4
Molecular Weight546.59 g/mol
Exact Mass546.25
IUPAC Name5-amino-2-[(2-amino-3-naphthalen-1-ylpropanoyl)-methylamino]-N-benzylpentanamide;2,2,2-trifluoroacetic acid
SMILESCN(C(=O)C(N)Cc1cccc2ccccc12)C(CCCN)C(=O)NCc1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H32N4O2.C2HF3O2/c1-30(24(15-8-16-27)25(31)29-18-19-9-3-2-4-10-19)26(32)23(28)17-21-13-7-12-20-11-5-6-14-22(20)21;3-2(4,5)1(6)7/h2-7,9-14,23-24H,8,15-18,27-28H2,1H3,(H,29,31);(H,6,7)
InChIKeyXRLOGCRMSJACCD-UHFFFAOYSA-N
XLogP3.23
TPSA138.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.59
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-amino-2-[(2-amino-3-naphthalen-1-ylpropanoyl)-methylamino]-N-benzylpentanamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-5-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]-methylamino]-N-quinolin-3-ylpentanamide
CID 10002169
(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-N-naphthalen-2-ylpentanamide
CID 67565119
(2R)-2-amino-3-naphthalen-1-yl-N-(2-phenylethyl)propanamide
CID 70832631
(3S)-3-amino-4-[[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
CID 118226744
(2S)-2-amino-3-naphthalen-1-ylpropanoic acid;(2R)-2-amino-3-naphthalen-1-ylpropanoic acid;(2S)-2-hydrazinyl-3-phenylpropanoic acid;(2S)-3-phenyl-2-(propan-2-ylamino)propanoic acid
CID 174923553
2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 70927054
(2R)-3-amino-N-benzyl-2-hydroxypentanamide;2,2,2-trifluoroacetic acid
CID 131737762
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
(2S)-6-amino-2-[(2-aminoacetyl)-(2-phenylethyl)amino]-N-(3-phenylpropyl)hexanamide;2,2,2-trifluoroacetic acid
CID 157301993
(2R)-2,5-diamino-N-[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]-N-(3-phenylpropyl)pentanamide;2,2,2-trifluoroacetic acid
CID 67564937
3-amino-4-naphthalen-1-ylbutan-2-one
CID 90132705
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]-methylamino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]-methylamino]hexanoic acid
CID 175726182

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-amino-3-naphthalen-1-ylpropanoyl)-methylamino]-N-benzylpentanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-amino-2-[(2-amino-3-naphthalen-1-ylpropanoyl)-methylamino]-N-benzylpentanamide;2,2,2-trifluoroacetic acid (CID 23299160) is 5-amino-2-[(2-amino-3-naphthalen-1-ylpropanoyl)-methylamino]-N-benzylpentanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-amino-2-[(2-amino-3-naphthalen-1-ylpropanoyl)-methylamino]-N-benzylpentanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-amino-2-[(2-amino-3-naphthalen-1-ylpropanoyl)-methylamino]-N-benzylpentanamide;2,2,2-trifluoroacetic acid is CN(C(=O)C(N)Cc1cccc2ccccc12)C(CCCN)C(=O)NCc1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-amino-2-[(2-amino-3-naphthalen-1-ylpropanoyl)-methylamino]-N-benzylpentanamide;2,2,2-trifluoroacetic acid?
The InChIKey is XRLOGCRMSJACCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2.C2HF3O2/c1-30(24(15-8-16-27)25(31)29-18-19-9-3-2-4-10-19)26(32)23(28)17-21-13-7-12-20-11-5-6-14-22(20)21;3-2(4,5)1(6)7/h2-7,9-14,23-24H,8,15-18,27-28H2,1H3,(H,29,31);(H,6,7).
What are the key properties of 5-amino-2-[(2-amino-3-naphthalen-1-ylpropanoyl)-methylamino]-N-benzylpentanamide;2,2,2-trifluoroacetic acid?
5-amino-2-[(2-amino-3-naphthalen-1-ylpropanoyl)-methylamino]-N-benzylpentanamide;2,2,2-trifluoroacetic acid has a molecular weight of 546.59 g/mol, XLogP of 3.23, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-amino-3-naphthalen-1-ylpropanoyl)-methylamino]-N-benzylpentanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 23299160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).