(2R)-2-amino-3-(2-thiophen-2-yl-1H-imidazol-5-yl)propanoic acid

C10H11N3O2S — CID 174787805

IUPAC(2R)-2-amino-3-(2-thiophen-2-yl-1H-imidazol-5-yl)propanoic acid
SMILESN[C@H](Cc1cnc(-c2cccs2)[nH]1)C(=O)O
InChIInChI=1S/C10H11N3O2S/c11-7(10(14)15)4-6-5-12-9(13-6)8-2-1-3-16-8/h1-3,5,7H,4,11H2,(H,12,13)(H,14,15)/t7-/m1/s1
InChIKeyHNZFFEHTVBCULS-SSDOTTSWSA-N
MW237.28 g/mol
LogP1.09
Rot. Bonds4

About (2R)-2-amino-3-(2-thiophen-2-yl-1H-imidazol-5-yl)propanoic acid

(2R)-2-amino-3-(2-thiophen-2-yl-1H-imidazol-5-yl)propanoic acid (PubChem CID 174787805) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is (2R)-2-amino-3-(2-thiophen-2-yl-1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(2-thiophen-2-yl-1H-imidazol-5-yl)propanoic acid
PubChem CID174787805
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name(2R)-2-amino-3-(2-thiophen-2-yl-1H-imidazol-5-yl)propanoic acid
SMILESN[C@H](Cc1cnc(-c2cccs2)[nH]1)C(=O)O
InChIInChI=1S/C10H11N3O2S/c11-7(10(14)15)4-6-5-12-9(13-6)8-2-1-3-16-8/h1-3,5,7H,4,11H2,(H,12,13)(H,14,15)/t7-/m1/s1
InChIKeyHNZFFEHTVBCULS-SSDOTTSWSA-N
XLogP1.09
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Thienyl)histamine
CID 11819933
3-(1H-imidazol-5-yl)-3-[2-thiophen-2-ylethyl(1H-1,2,4-triazol-5-ylmethyl)amino]propanoic acid
CID 44390042
3-(1H-imidazol-5-yl)-3-[pyridin-2-ylmethyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 44390051
rac-(4R,6S)-4-(thiophen-2-yl)-1H,4H,5H,6H,7H-imidazo(4,5-c)pyridine-6-carboxylic acid
CID 907836
4-(2-Thienyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 2771119
(4R,6S)-4-thiophen-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 135906749
(2R)-3-(1H-imidazol-5-yl)-2-[[4-(trifluoromethyl)thiophene-2-carbonyl]amino]propanoic acid
CID 166275529
(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-thiophen-2-ylpropanoic acid
CID 22843702
4-(5-phenyl-1H-imidazol-2-yl)-2-(thiophen-3-ylmethylamino)butanoic acid
CID 23509783
2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid;dihydrochloride
CID 25117297
2-[3-(1H-imidazol-5-ylmethylamino)thiophen-2-yl]acetic acid
CID 25117298
[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] (2S)-2-amino-3-thiophen-2-ylpropanoate
CID 57032327

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2-thiophen-2-yl-1H-imidazol-5-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(2-thiophen-2-yl-1H-imidazol-5-yl)propanoic acid (CID 174787805) is (2R)-2-amino-3-(2-thiophen-2-yl-1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(2-thiophen-2-yl-1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(2-thiophen-2-yl-1H-imidazol-5-yl)propanoic acid is N[C@H](Cc1cnc(-c2cccs2)[nH]1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(2-thiophen-2-yl-1H-imidazol-5-yl)propanoic acid?
The InChIKey is HNZFFEHTVBCULS-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11N3O2S/c11-7(10(14)15)4-6-5-12-9(13-6)8-2-1-3-16-8/h1-3,5,7H,4,11H2,(H,12,13)(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-3-(2-thiophen-2-yl-1H-imidazol-5-yl)propanoic acid?
(2R)-2-amino-3-(2-thiophen-2-yl-1H-imidazol-5-yl)propanoic acid has a molecular weight of 237.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(2-thiophen-2-yl-1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 174787805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).