(2S)-2-amino-3-(3-thiophen-2-ylimidazol-4-yl)propanoic acid

C10H11N3O2S — CID 69076731

IUPAC(2S)-2-amino-3-(3-thiophen-2-ylimidazol-4-yl)propanoic acid
SMILESN[C@@H](Cc1cncn1-c1cccs1)C(=O)O
InChIInChI=1S/C10H11N3O2S/c11-8(10(14)15)4-7-5-12-6-13(7)9-2-1-3-16-9/h1-3,5-6,8H,4,11H2,(H,14,15)/t8-/m0/s1
InChIKeySKKDGNQRCRTTJI-QMMMGPOBSA-N
MW237.28 g/mol
LogP0.89
Rot. Bonds4

About (2S)-2-amino-3-(3-thiophen-2-ylimidazol-4-yl)propanoic acid

(2S)-2-amino-3-(3-thiophen-2-ylimidazol-4-yl)propanoic acid (PubChem CID 69076731) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-thiophen-2-ylimidazol-4-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-thiophen-2-ylimidazol-4-yl)propanoic acid
PubChem CID69076731
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name(2S)-2-amino-3-(3-thiophen-2-ylimidazol-4-yl)propanoic acid
SMILESN[C@@H](Cc1cncn1-c1cccs1)C(=O)O
InChIInChI=1S/C10H11N3O2S/c11-8(10(14)15)4-7-5-12-6-13(7)9-2-1-3-16-9/h1-3,5-6,8H,4,11H2,(H,14,15)/t8-/m0/s1
InChIKeySKKDGNQRCRTTJI-QMMMGPOBSA-N
XLogP0.89
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3-(3-thiophen-2-ylimidazol-4-yl)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

(2S)-2-amino-3-(3-methylimidazol-4-yl)propanoic acid
CID 67703673
(2S)-2-amino-3-(3-methylsulfonylimidazol-4-yl)propanoic acid
CID 90428299
2-amino-3-(3-methylsulfonylimidazol-4-yl)propanoic acid
CID 90428298
(2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid
CID 54225588
(2S)-2-amino-3-[3-[(2S)-2-aminopropanoyl]imidazol-4-yl]propanoic acid
CID 69387154
(2S,3R)-2-amino-3-[5-[(2S)-2-amino-2-carboxyethyl]imidazol-1-yl]-3-(4-hydroxyphenyl)propanoic acid
CID 86289070
(2S)-2-amino-3-[3-(4-methylphenyl)sulfonylimidazol-4-yl]propanoic acid
CID 174438155
2-amino-3-(3-methylimidazol-4-yl)propanoic acid;2-methyl-3-(3-methylimidazol-4-yl)propanoic acid
CID 158192593
(2S)-2-amino-3-(2-thiophen-2-yl-1H-imidazol-5-yl)propanoic acid
CID 57081090
(2R)-2-amino-4-oxo-4-thiophen-2-ylbutanoic acid
CID 908362
2-amino-3-(2-bromo-3-methylimidazol-4-yl)propanoic acid
CID 83900196
(3S)-3-amino-4-(3-methylimidazol-4-yl)butan-2-one
CID 59371796

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-thiophen-2-ylimidazol-4-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(3-thiophen-2-ylimidazol-4-yl)propanoic acid (CID 69076731) is (2S)-2-amino-3-(3-thiophen-2-ylimidazol-4-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(3-thiophen-2-ylimidazol-4-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(3-thiophen-2-ylimidazol-4-yl)propanoic acid is N[C@@H](Cc1cncn1-c1cccs1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(3-thiophen-2-ylimidazol-4-yl)propanoic acid?
The InChIKey is SKKDGNQRCRTTJI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11N3O2S/c11-8(10(14)15)4-7-5-12-6-13(7)9-2-1-3-16-9/h1-3,5-6,8H,4,11H2,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3-thiophen-2-ylimidazol-4-yl)propanoic acid?
(2S)-2-amino-3-(3-thiophen-2-ylimidazol-4-yl)propanoic acid has a molecular weight of 237.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-thiophen-2-ylimidazol-4-yl)propanoic acid is sourced from PubChem (CID 69076731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).