[(2R)-1-amino-3-naphthalen-1-yloxypropan-2-yl] acetate

C15H17NO3 — CID 102063111

IUPAC[(2R)-1-amino-3-naphthalen-1-yloxypropan-2-yl] acetate
SMILESCC(=O)O[C@H](CN)COc1cccc2ccccc12
InChIInChI=1S/C15H17NO3/c1-11(17)19-13(9-16)10-18-15-8-4-6-12-5-2-3-7-14(12)15/h2-8,13H,9-10,16H2,1H3/t13-/m1/s1
InChIKeyPCLMLYRABYHLDK-CYBMUJFWSA-N
MW259.31 g/mol
LogP2.11
Rot. Bonds5

About [(2R)-1-amino-3-naphthalen-1-yloxypropan-2-yl] acetate

[(2R)-1-amino-3-naphthalen-1-yloxypropan-2-yl] acetate (PubChem CID 102063111) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is [(2R)-1-amino-3-naphthalen-1-yloxypropan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-1-amino-3-naphthalen-1-yloxypropan-2-yl] acetate
PubChem CID102063111
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name[(2R)-1-amino-3-naphthalen-1-yloxypropan-2-yl] acetate
SMILESCC(=O)O[C@H](CN)COc1cccc2ccccc12
InChIInChI=1S/C15H17NO3/c1-11(17)19-13(9-16)10-18-15-8-4-6-12-5-2-3-7-14(12)15/h2-8,13H,9-10,16H2,1H3/t13-/m1/s1
InChIKeyPCLMLYRABYHLDK-CYBMUJFWSA-N
XLogP2.11
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] acetate
CID 11077480
[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-naphthalen-1-yloxypropan-2-yl] acetate
CID 10992414
[1-[4-[2-(2-methylprop-2-enoyloxy)-3-naphthalen-1-yloxypropoxy]phenoxy]-3-naphthalen-1-yloxypropan-2-yl] 2-methylprop-2-enoate
CID 68949380
2-naphthalen-1-yloxyethyl acetate
CID 23049663
[(1R)-1-naphthalen-1-ylethyl] acetate
CID 13082477
1-[(2R)-3-bromo-2-methoxypropoxy]naphthalene
CID 129405594
4-amino-1-naphthalen-1-yloxybutan-2-ol
CID 86215876
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 18599941
but-3-en-2-one;3-naphthalen-1-yloxypropane-1,2-diol
CID 21238595
3-methyl-1-naphthalen-1-yloxybutan-2-one
CID 79395677
[(1R)-1-naphthalen-1-ylprop-2-enyl] acetate
CID 101384633
4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one
CID 70402211

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-3-naphthalen-1-yloxypropan-2-yl] acetate?
The IUPAC name of [(2R)-1-amino-3-naphthalen-1-yloxypropan-2-yl] acetate (CID 102063111) is [(2R)-1-amino-3-naphthalen-1-yloxypropan-2-yl] acetate.
What is the SMILES notation for [(2R)-1-amino-3-naphthalen-1-yloxypropan-2-yl] acetate?
The canonical SMILES for [(2R)-1-amino-3-naphthalen-1-yloxypropan-2-yl] acetate is CC(=O)O[C@H](CN)COc1cccc2ccccc12.
What is the InChIKey of [(2R)-1-amino-3-naphthalen-1-yloxypropan-2-yl] acetate?
The InChIKey is PCLMLYRABYHLDK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11(17)19-13(9-16)10-18-15-8-4-6-12-5-2-3-7-14(12)15/h2-8,13H,9-10,16H2,1H3/t13-/m1/s1.
What are the key properties of [(2R)-1-amino-3-naphthalen-1-yloxypropan-2-yl] acetate?
[(2R)-1-amino-3-naphthalen-1-yloxypropan-2-yl] acetate has a molecular weight of 259.31 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-3-naphthalen-1-yloxypropan-2-yl] acetate is sourced from PubChem (CID 102063111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).