thiophen-2-yl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate

C10H11N3O2S — CID 70455493

IUPACthiophen-2-yl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)Oc1cccs1
InChIInChI=1S/C10H11N3O2S/c11-8(4-7-5-12-6-13-7)10(14)15-9-2-1-3-16-9/h1-3,5-6,8H,4,11H2,(H,12,13)/t8-/m0/s1
InChIKeyACDDLYRJFJWKGL-QMMMGPOBSA-N
MW237.28 g/mol
LogP0.95
Rot. Bonds4

About thiophen-2-yl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate

thiophen-2-yl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate (PubChem CID 70455493) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is thiophen-2-yl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate.

Molecular Properties

Compound Namethiophen-2-yl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
PubChem CID70455493
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Namethiophen-2-yl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)Oc1cccs1
InChIInChI=1S/C10H11N3O2S/c11-8(4-7-5-12-6-13-7)10(14)15-9-2-1-3-16-9/h1-3,5-6,8H,4,11H2,(H,12,13)/t8-/m0/s1
InChIKeyACDDLYRJFJWKGL-QMMMGPOBSA-N
XLogP0.95
TPSA81.00 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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate?
The IUPAC name of thiophen-2-yl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate (CID 70455493) is thiophen-2-yl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate.
What is the SMILES notation for thiophen-2-yl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate?
The canonical SMILES for thiophen-2-yl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate is N[C@@H](Cc1cnc[nH]1)C(=O)Oc1cccs1.
What is the InChIKey of thiophen-2-yl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate?
The InChIKey is ACDDLYRJFJWKGL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11N3O2S/c11-8(4-7-5-12-6-13-7)10(14)15-9-2-1-3-16-9/h1-3,5-6,8H,4,11H2,(H,12,13)/t8-/m0/s1.
What are the key properties of thiophen-2-yl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate?
thiophen-2-yl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate has a molecular weight of 237.28 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate is sourced from PubChem (CID 70455493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).