(2S)-2-amino-3-[3-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid

C21H21NO3 — CID 69316412

IUPAC(2S)-2-amino-3-[3-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid
SMILESN[C@@H](Cc1cccc(OCCc2ccc3ccccc3c2)c1)C(=O)O
InChIInChI=1S/C21H21NO3/c22-20(21(23)24)14-16-4-3-7-19(13-16)25-11-10-15-8-9-17-5-1-2-6-18(17)12-15/h1-9,12-13,20H,10-11,14,22H2,(H,23,24)/t20-/m0/s1
InChIKeyPNGGNXAPDSHHCA-FQEVSTJZSA-N
MW335.40 g/mol
LogP3.42
Rot. Bonds7

About (2S)-2-amino-3-[3-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid

(2S)-2-amino-3-[3-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid (PubChem CID 69316412) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is (2S)-2-amino-3-[3-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[3-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid
PubChem CID69316412
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name(2S)-2-amino-3-[3-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid
SMILESN[C@@H](Cc1cccc(OCCc2ccc3ccccc3c2)c1)C(=O)O
InChIInChI=1S/C21H21NO3/c22-20(21(23)24)14-16-4-3-7-19(13-16)25-11-10-15-8-9-17-5-1-2-6-18(17)12-15/h1-9,12-13,20H,10-11,14,22H2,(H,23,24)/t20-/m0/s1
InChIKeyPNGGNXAPDSHHCA-FQEVSTJZSA-N
XLogP3.42
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[3-(2-fluoroethoxy)phenyl]propanoic acid
CID 144937795
2-[2-(3-benzylphenoxy)ethyl]naphthalene
CID 141063921
3-(2-naphthalen-2-ylethoxy)benzoic acid
CID 139922082
(2S)-2-amino-3-[3-(carboxymethoxy)phenyl]propanoic acid
CID 169025333
3-[2-[3-(2-naphthalen-2-ylethoxy)phenyl]ethylamino]propanoic acid
CID 23121301
2-amino-3-[3-(2-amino-3-phenylpropanoyl)oxyphenyl]propanoic acid
CID 129143949
2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid
CID 67173075
(2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoic acid
CID 66662980
2-[3-(2-naphthalen-2-ylethoxy)phenyl]acetonitrile
CID 141063911
2-amino-3-[3-(2,3-dichloropropoxy)phenyl]propanoic acid
CID 118195784
(2R)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoic acid
CID 175787823
1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]propan-2-amine
CID 65445918

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[3-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[3-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid (CID 69316412) is (2S)-2-amino-3-[3-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[3-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[3-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid is N[C@@H](Cc1cccc(OCCc2ccc3ccccc3c2)c1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[3-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid?
The InChIKey is PNGGNXAPDSHHCA-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21NO3/c22-20(21(23)24)14-16-4-3-7-19(13-16)25-11-10-15-8-9-17-5-1-2-6-18(17)12-15/h1-9,12-13,20H,10-11,14,22H2,(H,23,24)/t20-/m0/s1.
What are the key properties of (2S)-2-amino-3-[3-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid?
(2S)-2-amino-3-[3-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid has a molecular weight of 335.40 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[3-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid is sourced from PubChem (CID 69316412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).