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

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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).