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

C10H14N4O4 — CID 43211142

IUPAC4-hydroxy-1-[2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C(=O)N1CC(O)CC1C(=O)O)n1cncn1
InChIInChI=1S/C10H14N4O4/c1-6(14-5-11-4-12-14)9(16)13-3-7(15)2-8(13)10(17)18/h4-8,15H,2-3H2,1H3,(H,17,18)
InChIKeyNJJKWKPDYUVCGW-UHFFFAOYSA-N
MW254.25 g/mol
LogP-1.11
Rot. Bonds3

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

4-hydroxy-1-[2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 43211142) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID43211142
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name4-hydroxy-1-[2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C(=O)N1CC(O)CC1C(=O)O)n1cncn1
InChIInChI=1S/C10H14N4O4/c1-6(14-5-11-4-12-14)9(16)13-3-7(15)2-8(13)10(17)18/h4-8,15H,2-3H2,1H3,(H,17,18)
InChIKeyNJJKWKPDYUVCGW-UHFFFAOYSA-N
XLogP-1.11
TPSA108.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-1-[2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43211300
5-oxo-1-[2-(1,2,4-triazol-1-yl)propanoyl]piperazine-2-carboxylic acid
CID 107433248
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 79029995
1-[2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 55149512
1-(2,5-dimethylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 64979552
(2S,4R)-1-(4-carboxy-2-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 70609607
(2S,4R)-1-(dimethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841662
(2S,4S)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714914
(2S,4R)-1-(2-acetamido-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63857479
1-(3-aminopyrrolidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 62067807
(2R,4R)-4-hydroxy-1-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78999623
1-[(2S)-2-amino-4-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61158430

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid (CID 43211142) is 4-hydroxy-1-[2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid is CC(C(=O)N1CC(O)CC1C(=O)O)n1cncn1.
What is the InChIKey of 4-hydroxy-1-[2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is NJJKWKPDYUVCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-6(14-5-11-4-12-14)9(16)13-3-7(15)2-8(13)10(17)18/h4-8,15H,2-3H2,1H3,(H,17,18).
What are the key properties of 4-hydroxy-1-[2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid?
4-hydroxy-1-[2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of -1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43211142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).