methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate

C15H17NO3 — CID 154647583

IUPACmethyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate
SMILESCOC(=O)C(O)C(N)Cc1ccc2ccccc2c1
InChIInChI=1S/C15H17NO3/c1-19-15(18)14(17)13(16)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8,13-14,17H,9,16H2,1H3
InChIKeyDQZJKNBJLCTXQS-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.24
Rot. Bonds4

About methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate

methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate (PubChem CID 154647583) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate.

Molecular Properties

Compound Namemethyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate
PubChem CID154647583
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate
SMILESCOC(=O)C(O)C(N)Cc1ccc2ccccc2c1
InChIInChI=1S/C15H17NO3/c1-19-15(18)14(17)13(16)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8,13-14,17H,9,16H2,1H3
InChIKeyDQZJKNBJLCTXQS-UHFFFAOYSA-N
XLogP1.24
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
CID 126517010
methyl (2S,3S)-3-amino-2-hydroxy-4-(4-phenylmethoxyphenyl)butanoate
CID 10041390
(2R)-2-bromo-3-naphthalen-2-ylpropanoic acid;methane;methanol;methyl (2R)-2-bromo-3-naphthalen-2-ylpropanoate
CID 160827622
methyl (2R)-2-isocyanato-3-naphthalen-2-ylpropanoate
CID 147583826
methyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate
CID 119325146
methyl 2-(naphthalen-2-ylmethylamino)propanoate
CID 60691147
methyl (2R,3S)-3-hydroxy-2-(naphthalen-2-ylmethylamino)butanoate
CID 129401896
2-amino-N-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-naphthalen-2-ylpropanamide
CID 167079365
2-amino-N',N'-dimethyl-3-naphthalen-2-ylpropanehydrazide
CID 116849985
propan-2-yl 3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
CID 156677951
methyl (2R)-2-(4-hydroxybutanoylamino)-3-naphthalen-2-ylpropanoate
CID 170714861
1-methoxy-3-naphthalen-2-ylpropan-2-ol
CID 105112115

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate?
The IUPAC name of methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate (CID 154647583) is methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate.
What is the SMILES notation for methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate?
The canonical SMILES for methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate is COC(=O)C(O)C(N)Cc1ccc2ccccc2c1.
What is the InChIKey of methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate?
The InChIKey is DQZJKNBJLCTXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-19-15(18)14(17)13(16)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8,13-14,17H,9,16H2,1H3.
What are the key properties of methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate?
methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate has a molecular weight of 259.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate is sourced from PubChem (CID 154647583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).