methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate

C17H21NO2 — CID 126517010

IUPACmethyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
SMILESCOC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)C
InChIInChI=1S/C17H21NO2/c1-12(2)18-16(17(19)20-3)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,12,16,18H,11H2,1-3H3/t16-/m0/s1
InChIKeyGZBMYODSLPMKGV-INIZCTEOSA-N
MW271.36 g/mol
LogP2.92
Rot. Bonds5

About methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate

methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate (PubChem CID 126517010) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
PubChem CID126517010
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Namemethyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
SMILESCOC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)C
InChIInChI=1S/C17H21NO2/c1-12(2)18-16(17(19)20-3)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,12,16,18H,11H2,1-3H3/t16-/m0/s1
InChIKeyGZBMYODSLPMKGV-INIZCTEOSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
CID 156677951
methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate
CID 154647583
methyl (2R)-2-(4-hydroxybutanoylamino)-3-naphthalen-2-ylpropanoate
CID 170714861
methyl 3-(4-bromophenyl)-2-(propan-2-ylamino)propanoate
CID 140629616
methyl 3-(4-chlorophenyl)-2-(propan-2-ylamino)propanoate
CID 58866289
methyl 3-naphthalen-2-yl-2-(3-naphthalen-2-ylprop-2-ynoylamino)propanoate
CID 102461690
methyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate
CID 119325146
methyl 2-(naphthalen-2-ylmethylamino)propanoate
CID 60691147
methyl (2R)-2-[(4-benzoylphenyl)carbamoylamino]-3-naphthalen-2-ylpropanoate
CID 149490898
(2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide
CID 71163130
methyl (2R)-2-isocyanato-3-naphthalen-2-ylpropanoate
CID 147583826
(2R)-2-bromo-3-naphthalen-2-ylpropanoic acid;methane;methanol;methyl (2R)-2-bromo-3-naphthalen-2-ylpropanoate
CID 160827622

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate?
The IUPAC name of methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate (CID 126517010) is methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate?
The canonical SMILES for methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate is COC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)C.
What is the InChIKey of methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate?
The InChIKey is GZBMYODSLPMKGV-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(2)18-16(17(19)20-3)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,12,16,18H,11H2,1-3H3/t16-/m0/s1.
What are the key properties of methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate?
methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate has a molecular weight of 271.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 126517010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).