(2S)-2-amino-2-(thian-2-yl)propanoic acid

C8H15NO2S — CID 154318878

IUPAC(2S)-2-amino-2-(thian-2-yl)propanoic acid
SMILESC[C@](N)(C(=O)O)C1CCCCS1
InChIInChI=1S/C8H15NO2S/c1-8(9,7(10)11)6-4-2-3-5-12-6/h6H,2-5,9H2,1H3,(H,10,11)/t6?,8-/m1/s1
InChIKeyFVYMSXIOWXNUDD-QFSRMBNQSA-N
MW189.28 g/mol
LogP1.07
Rot. Bonds2

About (2S)-2-amino-2-(thian-2-yl)propanoic acid

(2S)-2-amino-2-(thian-2-yl)propanoic acid (PubChem CID 154318878) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is (2S)-2-amino-2-(thian-2-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(thian-2-yl)propanoic acid
PubChem CID154318878
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name(2S)-2-amino-2-(thian-2-yl)propanoic acid
SMILESC[C@](N)(C(=O)O)C1CCCCS1
InChIInChI=1S/C8H15NO2S/c1-8(9,7(10)11)6-4-2-3-5-12-6/h6H,2-5,9H2,1H3,(H,10,11)/t6?,8-/m1/s1
InChIKeyFVYMSXIOWXNUDD-QFSRMBNQSA-N
XLogP1.07
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-Amino-2-(2-methylsulfanylethyl)decanoic acid
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2-Amino-2-ethyl-3-(methylsulfanylmethyl)pentadecanoic acid
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2,6-Diamino-2,6-bis(2-methylsulfanylethyl)heptanedioic acid
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(thian-2-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-2-(thian-2-yl)propanoic acid (CID 154318878) is (2S)-2-amino-2-(thian-2-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-2-(thian-2-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-2-(thian-2-yl)propanoic acid is C[C@](N)(C(=O)O)C1CCCCS1.
What is the InChIKey of (2S)-2-amino-2-(thian-2-yl)propanoic acid?
The InChIKey is FVYMSXIOWXNUDD-QFSRMBNQSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-8(9,7(10)11)6-4-2-3-5-12-6/h6H,2-5,9H2,1H3,(H,10,11)/t6?,8-/m1/s1.
What are the key properties of (2S)-2-amino-2-(thian-2-yl)propanoic acid?
(2S)-2-amino-2-(thian-2-yl)propanoic acid has a molecular weight of 189.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(thian-2-yl)propanoic acid is sourced from PubChem (CID 154318878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).