4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid

C10H14N4O4 — CID 43211141

IUPAC4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)CCn1ccnn1
InChIInChI=1S/C10H14N4O4/c15-7-5-8(10(17)18)14(6-7)9(16)1-3-13-4-2-11-12-13/h2,4,7-8,15H,1,3,5-6H2,(H,17,18)
InChIKeyXAKBLUWBGRMRQU-UHFFFAOYSA-N
MW254.25 g/mol
LogP-1.29
Rot. Bonds4

About 4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid

4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 43211141) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID43211141
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)CCn1ccnn1
InChIInChI=1S/C10H14N4O4/c15-7-5-8(10(17)18)14(6-7)9(16)1-3-13-4-2-11-12-13/h2,4,7-8,15H,1,3,5-6H2,(H,17,18)
InChIKeyXAKBLUWBGRMRQU-UHFFFAOYSA-N
XLogP-1.29
TPSA108.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4R)-1-[(tert-butoxy)carbonyl]-4-(1H-1,2,3-triazol-1-yl)pyrrolidine-2-carboxylic acid
CID 177799796
(2S,4S)-4-(1H-1,2,3-triazol-1-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 165751587
(2S)-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 28789636
(2R)-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 28789638
(2S,4R)-4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 28790156
(2S,4S)-4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 28790158
(2R,4R)-4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 28790160
1-[3-(Triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43211077
4-Methoxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43211299
Methyl 1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylate
CID 43423353
Ethyl 1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylate
CID 55006206
(2S)-4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 61153800

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid (CID 43211141) is 4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)CCn1ccnn1.
What is the InChIKey of 4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is XAKBLUWBGRMRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c15-7-5-8(10(17)18)14(6-7)9(16)1-3-13-4-2-11-12-13/h2,4,7-8,15H,1,3,5-6H2,(H,17,18).
What are the key properties of 4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid?
4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of -1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43211141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).