(2R)-2-(thiophen-3-ylamino)propanoic acid

C7H9NO2S — CID 22858161

IUPAC(2R)-2-(thiophen-3-ylamino)propanoic acid
SMILESC[C@@H](Nc1ccsc1)C(=O)O
InChIInChI=1S/C7H9NO2S/c1-5(7(9)10)8-6-2-3-11-4-6/h2-5,8H,1H3,(H,9,10)/t5-/m1/s1
InChIKeyWRQSUCJAKAMYMQ-RXMQYKEDSA-N
MW171.22 g/mol
LogP1.63
Rot. Bonds3

About (2R)-2-(thiophen-3-ylamino)propanoic acid

(2R)-2-(thiophen-3-ylamino)propanoic acid (PubChem CID 22858161) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is (2R)-2-(thiophen-3-ylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(thiophen-3-ylamino)propanoic acid
PubChem CID22858161
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name(2R)-2-(thiophen-3-ylamino)propanoic acid
SMILESC[C@@H](Nc1ccsc1)C(=O)O
InChIInChI=1S/C7H9NO2S/c1-5(7(9)10)8-6-2-3-11-4-6/h2-5,8H,1H3,(H,9,10)/t5-/m1/s1
InChIKeyWRQSUCJAKAMYMQ-RXMQYKEDSA-N
XLogP1.63
TPSA49.33 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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(thiophen-3-ylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(thiophen-3-ylamino)propanoic acid?
The IUPAC name of (2R)-2-(thiophen-3-ylamino)propanoic acid (CID 22858161) is (2R)-2-(thiophen-3-ylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(thiophen-3-ylamino)propanoic acid?
The canonical SMILES for (2R)-2-(thiophen-3-ylamino)propanoic acid is C[C@@H](Nc1ccsc1)C(=O)O.
What is the InChIKey of (2R)-2-(thiophen-3-ylamino)propanoic acid?
The InChIKey is WRQSUCJAKAMYMQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-5(7(9)10)8-6-2-3-11-4-6/h2-5,8H,1H3,(H,9,10)/t5-/m1/s1.
What are the key properties of (2R)-2-(thiophen-3-ylamino)propanoic acid?
(2R)-2-(thiophen-3-ylamino)propanoic acid has a molecular weight of 171.22 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(thiophen-3-ylamino)propanoic acid is sourced from PubChem (CID 22858161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).