(2S)-2-(thiophen-2-ylamino)propanoic acid

C7H9NO2S — CID 18339629

IUPAC(2S)-2-(thiophen-2-ylamino)propanoic acid
SMILESC[C@H](Nc1cccs1)C(=O)O
InChIInChI=1S/C7H9NO2S/c1-5(7(9)10)8-6-3-2-4-11-6/h2-5,8H,1H3,(H,9,10)/t5-/m0/s1
InChIKeySHAPQBYCPZRQIP-YFKPBYRVSA-N
MW171.22 g/mol
LogP1.63
Rot. Bonds3

About (2S)-2-(thiophen-2-ylamino)propanoic acid

(2S)-2-(thiophen-2-ylamino)propanoic acid (PubChem CID 18339629) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is (2S)-2-(thiophen-2-ylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(thiophen-2-ylamino)propanoic acid
PubChem CID18339629
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name(2S)-2-(thiophen-2-ylamino)propanoic acid
SMILESC[C@H](Nc1cccs1)C(=O)O
InChIInChI=1S/C7H9NO2S/c1-5(7(9)10)8-6-3-2-4-11-6/h2-5,8H,1H3,(H,9,10)/t5-/m0/s1
InChIKeySHAPQBYCPZRQIP-YFKPBYRVSA-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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(thiophen-2-ylamino)propanoic acid?
The IUPAC name of (2S)-2-(thiophen-2-ylamino)propanoic acid (CID 18339629) is (2S)-2-(thiophen-2-ylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(thiophen-2-ylamino)propanoic acid?
The canonical SMILES for (2S)-2-(thiophen-2-ylamino)propanoic acid is C[C@H](Nc1cccs1)C(=O)O.
What is the InChIKey of (2S)-2-(thiophen-2-ylamino)propanoic acid?
The InChIKey is SHAPQBYCPZRQIP-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-5(7(9)10)8-6-3-2-4-11-6/h2-5,8H,1H3,(H,9,10)/t5-/m0/s1.
What are the key properties of (2S)-2-(thiophen-2-ylamino)propanoic acid?
(2S)-2-(thiophen-2-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 (2S)-2-(thiophen-2-ylamino)propanoic acid is sourced from PubChem (CID 18339629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).