(2S)-2-amino-3-thiophen-3-ylpropanoic acid

C7H9NO2S — CID 819083

IUPAC(2S)-2-amino-3-thiophen-3-ylpropanoic acid
SMILESN[C@@H](Cc1ccsc1)C(=O)O
InChIInChI=1S/C7H9NO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)/t6-/m0/s1
InChIKeyVOIZSAUUYAGTMS-LURJTMIESA-N
MW171.22 g/mol
LogP0.70
Rot. Bonds3

About (2S)-2-amino-3-thiophen-3-ylpropanoic acid

(2S)-2-amino-3-thiophen-3-ylpropanoic acid (PubChem CID 819083) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is (2S)-2-amino-3-thiophen-3-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-thiophen-3-ylpropanoic acid
PubChem CID819083
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name(2S)-2-amino-3-thiophen-3-ylpropanoic acid
SMILESN[C@@H](Cc1ccsc1)C(=O)O
InChIInChI=1S/C7H9NO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)/t6-/m0/s1
InChIKeyVOIZSAUUYAGTMS-LURJTMIESA-N
XLogP0.70
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

beta-2-Thienyl-L-alanine
CID 146719
2-Thienylalanine
CID 91444
3-(Aminomethyl)-4-(thiophen-3-yl)butanoic acid
CID 10198101
2-Amino-2-(thiophen-3-yl)acetic acid
CID 102577
3-Amino-3-(3-thienyl)propanoic acid
CID 2764410
beta-2-Thienyl-D-alanine
CID 7111750
3-(3-Thienyl)-DL-alanine
CID 95363
(S)-2-Amino-2-(thiophen-3-yl)acetic acid
CID 16220058
2-Formamido-3-(thiophen-3-yl)propanoic acid
CID 11412969
Methyl 2-amino-3-(thiophen-3-yl)propanoate
CID 19793487
Methyl 2-amino-3-(thiophen-3-yl)propanoate hydrochloride
CID 22608452
2-Amino-2-(thiophen-3-yl)acetic acid hydrochloride
CID 24729666

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-thiophen-3-ylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-thiophen-3-ylpropanoic acid (CID 819083) is (2S)-2-amino-3-thiophen-3-ylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-thiophen-3-ylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-thiophen-3-ylpropanoic acid is N[C@@H](Cc1ccsc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-thiophen-3-ylpropanoic acid?
The InChIKey is VOIZSAUUYAGTMS-LURJTMIESA-N. The full InChI is InChI=1S/C7H9NO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-3-thiophen-3-ylpropanoic acid?
(2S)-2-amino-3-thiophen-3-ylpropanoic acid has a molecular weight of 171.22 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-thiophen-3-ylpropanoic acid is sourced from PubChem (CID 819083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).