(2S)-2-imidazol-1-yl-3-(1H-pyrrol-2-yl)propanoic acid

C10H11N3O2 — CID 157244299

IUPAC(2S)-2-imidazol-1-yl-3-(1H-pyrrol-2-yl)propanoic acid
SMILESO=C(O)[C@H](Cc1ccc[nH]1)n1ccnc1
InChIInChI=1S/C10H11N3O2/c14-10(15)9(13-5-4-11-7-13)6-8-2-1-3-12-8/h1-5,7,9,12H,6H2,(H,14,15)/t9-/m0/s1
InChIKeyNZTCYBGYJJKSSD-VIFPVBQESA-N
MW205.22 g/mol
LogP1.08
Rot. Bonds4

About (2S)-2-imidazol-1-yl-3-(1H-pyrrol-2-yl)propanoic acid

(2S)-2-imidazol-1-yl-3-(1H-pyrrol-2-yl)propanoic acid (PubChem CID 157244299) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is (2S)-2-imidazol-1-yl-3-(1H-pyrrol-2-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-imidazol-1-yl-3-(1H-pyrrol-2-yl)propanoic acid
PubChem CID157244299
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name(2S)-2-imidazol-1-yl-3-(1H-pyrrol-2-yl)propanoic acid
SMILESO=C(O)[C@H](Cc1ccc[nH]1)n1ccnc1
InChIInChI=1S/C10H11N3O2/c14-10(15)9(13-5-4-11-7-13)6-8-2-1-3-12-8/h1-5,7,9,12H,6H2,(H,14,15)/t9-/m0/s1
InChIKeyNZTCYBGYJJKSSD-VIFPVBQESA-N
XLogP1.08
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-imidazol-1-yl-3-(1H-pyrrol-2-yl)propanoic acid?
The IUPAC name of (2S)-2-imidazol-1-yl-3-(1H-pyrrol-2-yl)propanoic acid (CID 157244299) is (2S)-2-imidazol-1-yl-3-(1H-pyrrol-2-yl)propanoic acid.
What is the SMILES notation for (2S)-2-imidazol-1-yl-3-(1H-pyrrol-2-yl)propanoic acid?
The canonical SMILES for (2S)-2-imidazol-1-yl-3-(1H-pyrrol-2-yl)propanoic acid is O=C(O)[C@H](Cc1ccc[nH]1)n1ccnc1.
What is the InChIKey of (2S)-2-imidazol-1-yl-3-(1H-pyrrol-2-yl)propanoic acid?
The InChIKey is NZTCYBGYJJKSSD-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11N3O2/c14-10(15)9(13-5-4-11-7-13)6-8-2-1-3-12-8/h1-5,7,9,12H,6H2,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-imidazol-1-yl-3-(1H-pyrrol-2-yl)propanoic acid?
(2S)-2-imidazol-1-yl-3-(1H-pyrrol-2-yl)propanoic acid has a molecular weight of 205.22 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-imidazol-1-yl-3-(1H-pyrrol-2-yl)propanoic acid is sourced from PubChem (CID 157244299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).