methyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate

C18H22N2O3 — CID 119325146

IUPACmethyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate
SMILESCOC(=O)C(CNC(=O)[C@H](C)N)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O3/c1-12(19)17(21)20-11-16(18(22)23-2)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,12,16H,10-11,19H2,1-2H3,(H,20,21)/t12-,16?/m0/s1
InChIKeyGKXFHJVQHGRJCA-HKALDPMFSA-N
MW314.39 g/mol
LogP1.63
Rot. Bonds6

About methyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate

methyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate (PubChem CID 119325146) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is methyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate
PubChem CID119325146
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Namemethyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate
SMILESCOC(=O)C(CNC(=O)[C@H](C)N)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O3/c1-12(19)17(21)20-11-16(18(22)23-2)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,12,16H,10-11,19H2,1-2H3,(H,20,21)/t12-,16?/m0/s1
InChIKeyGKXFHJVQHGRJCA-HKALDPMFSA-N
XLogP1.63
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate
CID 119325168
2-amino-N-(2-naphthalen-2-ylethyl)propanamide
CID 115152538
methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
CID 126517010
2-[(2,4-dimethylpent-4-enoylamino)methyl]-3-naphthalen-2-ylpropanoic acid
CID 120687756
methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate
CID 154647583
methyl 2-(naphthalen-2-ylmethyl)-3-(piperidine-2-carbonylamino)propanoate;hydrochloride
CID 119325143
methyl 2-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate;hydrochloride
CID 119786318
(2R)-2-bromo-3-naphthalen-2-ylpropanoic acid;methane;methanol;methyl (2R)-2-bromo-3-naphthalen-2-ylpropanoate
CID 160827622
methyl 2-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]-3-(3-methylphenyl)propanoate;hydrochloride
CID 119320346
methyl 2-[[(3-amino-2-methylbutanoyl)amino]methyl]-3-(3-methylphenyl)propanoate;hydrochloride
CID 120500577
methyl 2-(naphthalen-2-ylmethyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate
CID 86945925
2-(naphthalen-2-ylmethyl)butanoic acid
CID 77427365

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate?
The IUPAC name of methyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate (CID 119325146) is methyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate.
What is the SMILES notation for methyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate?
The canonical SMILES for methyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate is COC(=O)C(CNC(=O)[C@H](C)N)Cc1ccc2ccccc2c1.
What is the InChIKey of methyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate?
The InChIKey is GKXFHJVQHGRJCA-HKALDPMFSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12(19)17(21)20-11-16(18(22)23-2)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,12,16H,10-11,19H2,1-2H3,(H,20,21)/t12-,16?/m0/s1.
What are the key properties of methyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate?
methyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate has a molecular weight of 314.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate is sourced from PubChem (CID 119325146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).