(2S,3R)-3-amino-2-methoxy-3-naphthalen-1-ylpropanenitrile

C14H14N2O — CID 124638636

IUPAC(2S,3R)-3-amino-2-methoxy-3-naphthalen-1-ylpropanenitrile
SMILESCO[C@H](C#N)[C@H](N)c1cccc2ccccc12
InChIInChI=1S/C14H14N2O/c1-17-13(9-15)14(16)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13-14H,16H2,1H3/t13-,14-/m1/s1
InChIKeyHMHZONGTMLMDOM-ZIAGYGMSSA-N
MW226.28 g/mol
LogP2.38
Rot. Bonds3

About (2S,3R)-3-amino-2-methoxy-3-naphthalen-1-ylpropanenitrile

(2S,3R)-3-amino-2-methoxy-3-naphthalen-1-ylpropanenitrile (PubChem CID 124638636) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is (2S,3R)-3-amino-2-methoxy-3-naphthalen-1-ylpropanenitrile.

Molecular Properties

Compound Name(2S,3R)-3-amino-2-methoxy-3-naphthalen-1-ylpropanenitrile
PubChem CID124638636
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name(2S,3R)-3-amino-2-methoxy-3-naphthalen-1-ylpropanenitrile
SMILESCO[C@H](C#N)[C@H](N)c1cccc2ccccc12
InChIInChI=1S/C14H14N2O/c1-17-13(9-15)14(16)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13-14H,16H2,1H3/t13-,14-/m1/s1
InChIKeyHMHZONGTMLMDOM-ZIAGYGMSSA-N
XLogP2.38
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[amino(naphthalen-1-yl)methyl]-3-methylbutanenitrile
CID 116946417
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
(1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol
CID 171161126
(1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride
CID 171212055
ethyl 2-cyano-2-naphthalen-1-ylacetate
CID 11031963
(2S)-2-naphthalen-1-ylbutanenitrile
CID 132595059
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
N'-methyl-1-naphthalen-1-ylmethanediamine
CID 116939404
dinaphthalen-1-ylmethyl thiocyanate
CID 42603483
(1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine
CID 28541442
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
(2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 132595061

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-amino-2-methoxy-3-naphthalen-1-ylpropanenitrile?
The IUPAC name of (2S,3R)-3-amino-2-methoxy-3-naphthalen-1-ylpropanenitrile (CID 124638636) is (2S,3R)-3-amino-2-methoxy-3-naphthalen-1-ylpropanenitrile.
What is the SMILES notation for (2S,3R)-3-amino-2-methoxy-3-naphthalen-1-ylpropanenitrile?
The canonical SMILES for (2S,3R)-3-amino-2-methoxy-3-naphthalen-1-ylpropanenitrile is CO[C@H](C#N)[C@H](N)c1cccc2ccccc12.
What is the InChIKey of (2S,3R)-3-amino-2-methoxy-3-naphthalen-1-ylpropanenitrile?
The InChIKey is HMHZONGTMLMDOM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H14N2O/c1-17-13(9-15)14(16)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13-14H,16H2,1H3/t13-,14-/m1/s1.
What are the key properties of (2S,3R)-3-amino-2-methoxy-3-naphthalen-1-ylpropanenitrile?
(2S,3R)-3-amino-2-methoxy-3-naphthalen-1-ylpropanenitrile has a molecular weight of 226.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-amino-2-methoxy-3-naphthalen-1-ylpropanenitrile is sourced from PubChem (CID 124638636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).