3-pyrazin-2-yl-3-(1H-pyrrol-2-yl)propanoic acid

C11H11N3O2 — CID 116834034

IUPAC3-pyrazin-2-yl-3-(1H-pyrrol-2-yl)propanoic acid
SMILESO=C(O)CC(c1cnccn1)c1ccc[nH]1
InChIInChI=1S/C11H11N3O2/c15-11(16)6-8(9-2-1-3-13-9)10-7-12-4-5-14-10/h1-5,7-8,13H,6H2,(H,15,16)
InChIKeySKDPCSHSQDKEBN-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.41
Rot. Bonds4

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

3-pyrazin-2-yl-3-(1H-pyrrol-2-yl)propanoic acid (PubChem CID 116834034) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-pyrazin-2-yl-3-(1H-pyrrol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-pyrazin-2-yl-3-(1H-pyrrol-2-yl)propanoic acid
PubChem CID116834034
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-pyrazin-2-yl-3-(1H-pyrrol-2-yl)propanoic acid
SMILESO=C(O)CC(c1cnccn1)c1ccc[nH]1
InChIInChI=1S/C11H11N3O2/c15-11(16)6-8(9-2-1-3-13-9)10-7-12-4-5-14-10/h1-5,7-8,13H,6H2,(H,15,16)
InChIKeySKDPCSHSQDKEBN-UHFFFAOYSA-N
XLogP1.41
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrazin-2-yl-2-(1H-pyrrol-2-yl)acetonitrile
CID 116833358
3-pyridin-3-ylsulfonyl-3-(1H-pyrrol-2-yl)propanoic acid
CID 57211622
4-amino-3-methyl-4-(1H-pyrrol-2-yl)butanoic acid
CID 116938180
1,5-dichloro-2,4-bis(1H-pyrrol-2-yl)pentan-3-one
CID 174516218
3-amino-4-(methylamino)-4-(1H-pyrrol-2-yl)butanoic acid
CID 116957911
3-pyridazin-3-yl-3-pyridin-3-ylpropanoic acid
CID 116833952
4,4,4-trifluoro-3-pyridin-2-ylbutanoic acid
CID 82534716
(3S)-1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one
CID 102531736
3-chloro-3-pyridin-2-ylpropanoic acid
CID 82366804
2-pyrrol-1-yl-2-(1H-pyrrol-2-yl)acetic acid
CID 121210312
2-pyridin-2-ylbutanedioic acid
CID 67462885
(2S)-2-phenyl-2-pyrazin-2-ylethanamine
CID 129371603

Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-3-(1H-pyrrol-2-yl)propanoic acid?
The IUPAC name of 3-pyrazin-2-yl-3-(1H-pyrrol-2-yl)propanoic acid (CID 116834034) is 3-pyrazin-2-yl-3-(1H-pyrrol-2-yl)propanoic acid.
What is the SMILES notation for 3-pyrazin-2-yl-3-(1H-pyrrol-2-yl)propanoic acid?
The canonical SMILES for 3-pyrazin-2-yl-3-(1H-pyrrol-2-yl)propanoic acid is O=C(O)CC(c1cnccn1)c1ccc[nH]1.
What is the InChIKey of 3-pyrazin-2-yl-3-(1H-pyrrol-2-yl)propanoic acid?
The InChIKey is SKDPCSHSQDKEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-11(16)6-8(9-2-1-3-13-9)10-7-12-4-5-14-10/h1-5,7-8,13H,6H2,(H,15,16).
What are the key properties of 3-pyrazin-2-yl-3-(1H-pyrrol-2-yl)propanoic acid?
3-pyrazin-2-yl-3-(1H-pyrrol-2-yl)propanoic acid has a molecular weight of 217.23 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-3-(1H-pyrrol-2-yl)propanoic acid is sourced from PubChem (CID 116834034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).