(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

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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).