2-(thiophen-2-ylamino)propanoic acid;hydrochloride

C7H10ClNO2S — CID 19743657

IUPAC2-(thiophen-2-ylamino)propanoic acid;hydrochloride
SMILESCC(Nc1cccs1)C(=O)O.Cl
InChIInChI=1S/C7H9NO2S.ClH/c1-5(7(9)10)8-6-3-2-4-11-6;/h2-5,8H,1H3,(H,9,10);1H
InChIKeyZNKYHJMDTZLACF-UHFFFAOYSA-N
MW207.68 g/mol
LogP2.05
Rot. Bonds3

About 2-(thiophen-2-ylamino)propanoic acid;hydrochloride

2-(thiophen-2-ylamino)propanoic acid;hydrochloride (PubChem CID 19743657) has the molecular formula C7H10ClNO2S and a molecular weight of 207.68 g/mol. Its IUPAC name is 2-(thiophen-2-ylamino)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(thiophen-2-ylamino)propanoic acid;hydrochloride
PubChem CID19743657
Molecular FormulaC7H10ClNO2S
Molecular Weight207.68 g/mol
Exact Mass207.01
IUPAC Name2-(thiophen-2-ylamino)propanoic acid;hydrochloride
SMILESCC(Nc1cccs1)C(=O)O.Cl
InChIInChI=1S/C7H9NO2S.ClH/c1-5(7(9)10)8-6-3-2-4-11-6;/h2-5,8H,1H3,(H,9,10);1H
InChIKeyZNKYHJMDTZLACF-UHFFFAOYSA-N
XLogP2.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.68
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Thienylglycine
CID 21071957
(2S)-2-(thiophen-2-ylamino)propanoic acid
CID 18339629
2-Thienyl-DL-alanine
CID 18378025
Thienylalanine ethyl ester
CID 18391602
3-Thienylalanine
CID 18642059
Thienyl-serine
CID 54412027
4-Phosphothiophen-2-yl alanine
CID 117940717
3-Methyl-2-[[4-(trifluoromethyl)thiophen-2-yl]amino]butanoic acid
CID 20482777
(2R)-3-fluoro-2-(thiophen-3-ylamino)propanoic acid
CID 69257255
(2S)-3-methyl-2-[[4-(trifluoromethyl)thiophen-2-yl]amino]butanoic acid
CID 70536384
2-Fluoro-3-sulfanyl-2-(thiophen-2-ylamino)propanoic acid
CID 118494951
3-(Thiophen-2-ylamino)propanoic acid
CID 268925

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylamino)propanoic acid;hydrochloride?
The IUPAC name of 2-(thiophen-2-ylamino)propanoic acid;hydrochloride (CID 19743657) is 2-(thiophen-2-ylamino)propanoic acid;hydrochloride.
What is the SMILES notation for 2-(thiophen-2-ylamino)propanoic acid;hydrochloride?
The canonical SMILES for 2-(thiophen-2-ylamino)propanoic acid;hydrochloride is CC(Nc1cccs1)C(=O)O.Cl.
What is the InChIKey of 2-(thiophen-2-ylamino)propanoic acid;hydrochloride?
The InChIKey is ZNKYHJMDTZLACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.ClH/c1-5(7(9)10)8-6-3-2-4-11-6;/h2-5,8H,1H3,(H,9,10);1H.
What are the key properties of 2-(thiophen-2-ylamino)propanoic acid;hydrochloride?
2-(thiophen-2-ylamino)propanoic acid;hydrochloride has a molecular weight of 207.68 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylamino)propanoic acid;hydrochloride is sourced from PubChem (CID 19743657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).