2-amino-3-hydroxy-3-(5-methylthiophen-3-yl)propanoic acid

C8H11NO3S — CID 130639383

IUPAC2-amino-3-hydroxy-3-(5-methylthiophen-3-yl)propanoic acid
SMILESCc1cc(C(O)C(N)C(=O)O)cs1
InChIInChI=1S/C8H11NO3S/c1-4-2-5(3-13-4)7(10)6(9)8(11)12/h2-3,6-7,10H,9H2,1H3,(H,11,12)
InChIKeySBVWFKFWFYTLMO-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.50
Rot. Bonds3

About 2-amino-3-hydroxy-3-(5-methylthiophen-3-yl)propanoic acid

2-amino-3-hydroxy-3-(5-methylthiophen-3-yl)propanoic acid (PubChem CID 130639383) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-amino-3-hydroxy-3-(5-methylthiophen-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxy-3-(5-methylthiophen-3-yl)propanoic acid
PubChem CID130639383
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name2-amino-3-hydroxy-3-(5-methylthiophen-3-yl)propanoic acid
SMILESCc1cc(C(O)C(N)C(=O)O)cs1
InChIInChI=1S/C8H11NO3S/c1-4-2-5(3-13-4)7(10)6(9)8(11)12/h2-3,6-7,10H,9H2,1H3,(H,11,12)
InChIKeySBVWFKFWFYTLMO-UHFFFAOYSA-N
XLogP0.50
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol
CID 65099385
(1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol
CID 55293890
2-(dimethylamino)-2-(5-methylthiophen-3-yl)acetic acid
CID 131031436
1-cyclopropyl-2-(5-methylthiophen-3-yl)ethane-1,2-diol
CID 103456956
2-amino-3-hydroxy-3-phenylpropanoic acid
CID 66621998
2-methyl-1-(5-methylthiophen-3-yl)propane-1,2-diol
CID 103449100
2-amino-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 66205949
3-ethyl-1-(5-methylthiophen-3-yl)pentane-1,2-diol
CID 103459822
2-amino-3-hydroxy-3-(3,4,5-trifluorophenyl)propanoic acid
CID 66207167
2-amino-3-hydroxy-3-pyrimidin-5-ylpropanoic acid
CID 131186284
1-(5-methylthiophen-3-yl)ethane-1,2-diamine
CID 55294445
2-amino-3-(5-chlorothiophen-3-yl)butanoic acid
CID 164662267

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-3-(5-methylthiophen-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-hydroxy-3-(5-methylthiophen-3-yl)propanoic acid (CID 130639383) is 2-amino-3-hydroxy-3-(5-methylthiophen-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-hydroxy-3-(5-methylthiophen-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-hydroxy-3-(5-methylthiophen-3-yl)propanoic acid is Cc1cc(C(O)C(N)C(=O)O)cs1.
What is the InChIKey of 2-amino-3-hydroxy-3-(5-methylthiophen-3-yl)propanoic acid?
The InChIKey is SBVWFKFWFYTLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-4-2-5(3-13-4)7(10)6(9)8(11)12/h2-3,6-7,10H,9H2,1H3,(H,11,12).
What are the key properties of 2-amino-3-hydroxy-3-(5-methylthiophen-3-yl)propanoic acid?
2-amino-3-hydroxy-3-(5-methylthiophen-3-yl)propanoic acid has a molecular weight of 201.25 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-3-(5-methylthiophen-3-yl)propanoic acid is sourced from PubChem (CID 130639383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).