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

C11H15N3O3 — CID 126439290

IUPAC3-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]cyclobutane-1-carboxylic acid
SMILESC[C@@H](C(=O)NC1CC(C(=O)O)C1)n1cccn1
InChIInChI=1S/C11H15N3O3/c1-7(14-4-2-3-12-14)10(15)13-9-5-8(6-9)11(16)17/h2-4,7-9H,5-6H2,1H3,(H,13,15)(H,16,17)/t7-,8?,9?/m0/s1
InChIKeyZGAVQJMUKNESLD-UEJVZZJDSA-N
MW237.26 g/mol
LogP0.42
Rot. Bonds4

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

3-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 126439290) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]cyclobutane-1-carboxylic acid
PubChem CID126439290
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]cyclobutane-1-carboxylic acid
SMILESC[C@@H](C(=O)NC1CC(C(=O)O)C1)n1cccn1
InChIInChI=1S/C11H15N3O3/c1-7(14-4-2-3-12-14)10(15)13-9-5-8(6-9)11(16)17/h2-4,7-9H,5-6H2,1H3,(H,13,15)(H,16,17)/t7-,8?,9?/m0/s1
InChIKeyZGAVQJMUKNESLD-UEJVZZJDSA-N
XLogP0.42
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 93329821
N-cycloheptyl-2-pyrazol-1-ylpropanamide
CID 47156273
methyl 4-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylate
CID 115617096
1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-carboxylic acid
CID 129493584
N-piperidin-3-yl-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119424500
1-(2-pyrazol-1-ylpropanoylamino)cyclopropane-1-carboxylic acid
CID 65453195
(2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 95134540
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
2-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180632
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyrazol-1-ylpropanamide
CID 43593952
4-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 119230000
3-methyl-2-(2-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43211034

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]cyclobutane-1-carboxylic acid (CID 126439290) is 3-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]cyclobutane-1-carboxylic acid is C[C@@H](C(=O)NC1CC(C(=O)O)C1)n1cccn1.
What is the InChIKey of 3-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is ZGAVQJMUKNESLD-UEJVZZJDSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(14-4-2-3-12-14)10(15)13-9-5-8(6-9)11(16)17/h2-4,7-9H,5-6H2,1H3,(H,13,15)(H,16,17)/t7-,8?,9?/m0/s1.
What are the key properties of 3-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]cyclobutane-1-carboxylic acid?
3-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 126439290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).