methyl (2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-4-methylpentanoate

C20H26N2O3 — CID 25187069

IUPACmethyl (2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-4-methylpentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1
InChIInChI=1S/C20H26N2O3/c1-13(2)10-18(20(24)25-3)22-19(23)17(21)12-14-8-9-15-6-4-5-7-16(15)11-14/h4-9,11,13,17-18H,10,12,21H2,1-3H3,(H,22,23)/t17-,18-/m0/s1
InChIKeyOOEDLLHBWZXTAD-ROUUACIJSA-N
MW342.44 g/mol
LogP2.41
Rot. Bonds7

About methyl (2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-4-methylpentanoate

methyl (2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-4-methylpentanoate (PubChem CID 25187069) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is methyl (2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-4-methylpentanoate
PubChem CID25187069
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Namemethyl (2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-4-methylpentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1
InChIInChI=1S/C20H26N2O3/c1-13(2)10-18(20(24)25-3)22-19(23)17(21)12-14-8-9-15-6-4-5-7-16(15)11-14/h4-9,11,13,17-18H,10,12,21H2,1-3H3,(H,22,23)/t17-,18-/m0/s1
InChIKeyOOEDLLHBWZXTAD-ROUUACIJSA-N
XLogP2.41
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-4-methylpentanoate with MolForge

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Related Compounds

Nal-Glu
CID 44412112
peptide 30 [PMID: 27019010]
CID 11750118
N-[1-[(1-amino-1-oxopropan-2-yl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 21881944
Tapi-0
CID 9955704
Methyl 2-(2-amino-3-phenylpropanamido)-4-methylpentanoate hydrochloride
CID 11958761
Hydroxyethylamine-based inhibitor 2
CID 6539259
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(naphthalen-2-yl)ethyl]carbamate
CID 11523212
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(naphthalen-1-yl)ethyl]carbamate
CID 11710096
(2R)-N'-hydroxy-N-[(2R)-1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 44310921
(2R)-N'-hydroxy-N-[(2R)-1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 44310932
[(1R)-1-[[(2S)-2-acetamido-3-naphthalen-1-ylpropanoyl]amino]-3-methylbutyl]boronic acid
CID 44583187
(S)-N-(3-(4-(3-aminopropylamino)butylamino)propyl)-3-cyclohexyl-2-(2-(naphthalen-1-yl)acetamido)propanamide
CID 49788731

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-4-methylpentanoate?
The IUPAC name of methyl (2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-4-methylpentanoate (CID 25187069) is methyl (2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl (2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl (2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-4-methylpentanoate is COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1.
What is the InChIKey of methyl (2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-4-methylpentanoate?
The InChIKey is OOEDLLHBWZXTAD-ROUUACIJSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13(2)10-18(20(24)25-3)22-19(23)17(21)12-14-8-9-15-6-4-5-7-16(15)11-14/h4-9,11,13,17-18H,10,12,21H2,1-3H3,(H,22,23)/t17-,18-/m0/s1.
What are the key properties of methyl (2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-4-methylpentanoate?
methyl (2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-4-methylpentanoate has a molecular weight of 342.44 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-4-methylpentanoate is sourced from PubChem (CID 25187069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).