(2S)-2-[(5-ethylthiophen-2-yl)methylamino]propanoic acid

C10H15NO2S — CID 83194211

IUPAC(2S)-2-[(5-ethylthiophen-2-yl)methylamino]propanoic acid
SMILESCCc1ccc(CN[C@@H](C)C(=O)O)s1
InChIInChI=1S/C10H15NO2S/c1-3-8-4-5-9(14-8)6-11-7(2)10(12)13/h4-5,7,11H,3,6H2,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyONNKRPVXWMAJGG-ZETCQYMHSA-N
MW213.30 g/mol
LogP1.87
Rot. Bonds5

About (2S)-2-[(5-ethylthiophen-2-yl)methylamino]propanoic acid

(2S)-2-[(5-ethylthiophen-2-yl)methylamino]propanoic acid (PubChem CID 83194211) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is (2S)-2-[(5-ethylthiophen-2-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-ethylthiophen-2-yl)methylamino]propanoic acid
PubChem CID83194211
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name(2S)-2-[(5-ethylthiophen-2-yl)methylamino]propanoic acid
SMILESCCc1ccc(CN[C@@H](C)C(=O)O)s1
InChIInChI=1S/C10H15NO2S/c1-3-8-4-5-9(14-8)6-11-7(2)10(12)13/h4-5,7,11H,3,6H2,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyONNKRPVXWMAJGG-ZETCQYMHSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(5-ethylthiophen-2-yl)methylamino]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

Related Compounds

6-[(5-ethylthiophen-2-yl)methylamino]-2-methylheptanoic acid
CID 65289197
2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol
CID 65312373
methyl 2-[(5-ethylthiophen-2-yl)methylamino]-3-methylbutanoate
CID 43452285
N-[(5-ethylthiophen-2-yl)methyl]-2-methylpentan-3-amine
CID 61469407
4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol
CID 114136812
(2R)-2-(carbamoylamino)-N-[(5-ethylthiophen-2-yl)methyl]propanamide
CID 94106356
N-[(5-ethylthiophen-2-yl)methyl]hydroxylamine
CID 82686078
N-[(5-ethylthiophen-2-yl)methyl]-1-phenylpropan-1-amine
CID 62305737
methyl 2-[5-[(pentan-3-ylamino)methyl]thiophen-2-yl]acetate
CID 82894176
2-[5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]thiophen-2-yl]acetic acid
CID 82893950
2-[[5-(2-methoxy-2-oxoethyl)thiophen-2-yl]methylamino]-4-methylpentanoic acid
CID 82894730
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid
CID 54959823

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-ethylthiophen-2-yl)methylamino]propanoic acid?
The IUPAC name of (2S)-2-[(5-ethylthiophen-2-yl)methylamino]propanoic acid (CID 83194211) is (2S)-2-[(5-ethylthiophen-2-yl)methylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[(5-ethylthiophen-2-yl)methylamino]propanoic acid?
The canonical SMILES for (2S)-2-[(5-ethylthiophen-2-yl)methylamino]propanoic acid is CCc1ccc(CN[C@@H](C)C(=O)O)s1.
What is the InChIKey of (2S)-2-[(5-ethylthiophen-2-yl)methylamino]propanoic acid?
The InChIKey is ONNKRPVXWMAJGG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-8-4-5-9(14-8)6-11-7(2)10(12)13/h4-5,7,11H,3,6H2,1-2H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-[(5-ethylthiophen-2-yl)methylamino]propanoic acid?
(2S)-2-[(5-ethylthiophen-2-yl)methylamino]propanoic acid has a molecular weight of 213.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-ethylthiophen-2-yl)methylamino]propanoic acid is sourced from PubChem (CID 83194211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).