(2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid

C14H19NO2S — CID 107773515

IUPAC(2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
SMILESN[C@H](CSCC1CCCc2ccccc21)C(=O)O
InChIInChI=1S/C14H19NO2S/c15-13(14(16)17)9-18-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-2,4,7,11,13H,3,5-6,8-9,15H2,(H,16,17)/t11?,13-/m1/s1
InChIKeyMRZVHCMAXGPBTQ-GLGOKHISSA-N
MW265.38 g/mol
LogP2.25
Rot. Bonds5

About (2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid

(2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid (PubChem CID 107773515) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
PubChem CID107773515
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
SMILESN[C@H](CSCC1CCCc2ccccc21)C(=O)O
InChIInChI=1S/C14H19NO2S/c15-13(14(16)17)9-18-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-2,4,7,11,13H,3,5-6,8-9,15H2,(H,16,17)/t11?,13-/m1/s1
InChIKeyMRZVHCMAXGPBTQ-GLGOKHISSA-N
XLogP2.25
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylsulfanyl)propanoic acid
CID 66419315
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
CID 55242082
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)butan-2-amine
CID 66233726
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)ethanamine
CID 63772452
(2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid
CID 106702789
1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 65130800
3-amino-4-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 116593963
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
2-(benzhydrylideneamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 57264038
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
[1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl]hydrazine
CID 105195209

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid (CID 107773515) is (2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid is N[C@H](CSCC1CCCc2ccccc21)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid?
The InChIKey is MRZVHCMAXGPBTQ-GLGOKHISSA-N. The full InChI is InChI=1S/C14H19NO2S/c15-13(14(16)17)9-18-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-2,4,7,11,13H,3,5-6,8-9,15H2,(H,16,17)/t11?,13-/m1/s1.
What are the key properties of (2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid?
(2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid has a molecular weight of 265.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid is sourced from PubChem (CID 107773515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).