1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-carboxylic acid

C10H13N3O3 — CID 129493584

IUPAC1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-carboxylic acid
SMILESC[C@@H](C(=O)N1CC(C(=O)O)C1)n1cccn1
InChIInChI=1S/C10H13N3O3/c1-7(13-4-2-3-11-13)9(14)12-5-8(6-12)10(15)16/h2-4,7-8H,5-6H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeyMGCPUOAFQKPCFC-ZETCQYMHSA-N
MW223.23 g/mol
LogP-0.01
Rot. Bonds3

About 1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-carboxylic acid

1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-carboxylic acid (PubChem CID 129493584) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-carboxylic acid
PubChem CID129493584
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-carboxylic acid
SMILESC[C@@H](C(=O)N1CC(C(=O)O)C1)n1cccn1
InChIInChI=1S/C10H13N3O3/c1-7(13-4-2-3-11-13)9(14)12-5-8(6-12)10(15)16/h2-4,7-8H,5-6H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeyMGCPUOAFQKPCFC-ZETCQYMHSA-N
XLogP-0.01
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one
CID 51076824
(2R)-1-(3-azidoazetidin-1-yl)-2-pyrazol-1-ylpropan-1-one
CID 129494652
3-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]cyclobutane-1-carboxylic acid
CID 126439290
2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]propanoic acid
CID 62317777
N-phenyl-1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-sulfonamide
CID 97348600
1-morpholin-4-yl-2-pyrazol-1-ylpropan-1-one
CID 51076822
(2R)-1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one
CID 95583669
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 112630605
4-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 93329821
2-pyrazol-1-yl-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one
CID 121165072
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyrazol-1-ylpropan-1-one
CID 81426063
3-[1-(2-pyrazol-1-ylpropanoyl)piperidin-3-yl]butanoic acid
CID 81042767

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-carboxylic acid (CID 129493584) is 1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-carboxylic acid is C[C@@H](C(=O)N1CC(C(=O)O)C1)n1cccn1.
What is the InChIKey of 1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-carboxylic acid?
The InChIKey is MGCPUOAFQKPCFC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-7(13-4-2-3-11-13)9(14)12-5-8(6-12)10(15)16/h2-4,7-8H,5-6H2,1H3,(H,15,16)/t7-/m0/s1.
What are the key properties of 1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-carboxylic acid?
1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 129493584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).