2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid

C13H20N4O3 — CID 116683852

IUPAC2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid
SMILESCc1n[nH]c(C)c1NC(=O)CN1CC(C(C)C(=O)O)C1
InChIInChI=1S/C13H20N4O3/c1-7(13(19)20)10-4-17(5-10)6-11(18)14-12-8(2)15-16-9(12)3/h7,10H,4-6H2,1-3H3,(H,14,18)(H,15,16)(H,19,20)
InChIKeyLBFLBOBEAQCDMC-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.62
Rot. Bonds5

About 2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid

2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid (PubChem CID 116683852) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid
PubChem CID116683852
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid
SMILESCc1n[nH]c(C)c1NC(=O)CN1CC(C(C)C(=O)O)C1
InChIInChI=1S/C13H20N4O3/c1-7(13(19)20)10-4-17(5-10)6-11(18)14-12-8(2)15-16-9(12)3/h7,10H,4-6H2,1-3H3,(H,14,18)(H,15,16)(H,19,20)
InChIKeyLBFLBOBEAQCDMC-UHFFFAOYSA-N
XLogP0.62
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid with MolForge

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Related Compounds

1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031207
2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79612221
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 62063232
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 102683128
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-propan-2-yloxyacetamide
CID 112687011
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide
CID 63310116
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]acetamide
CID 71988957
2-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116683929
2-cyclopropyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 79506566
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]acetamide
CID 71988673
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide
CID 63770649
4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-oxobutanoic acid
CID 16645428

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid (CID 116683852) is 2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid is Cc1n[nH]c(C)c1NC(=O)CN1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid?
The InChIKey is LBFLBOBEAQCDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-7(13(19)20)10-4-17(5-10)6-11(18)14-12-8(2)15-16-9(12)3/h7,10H,4-6H2,1-3H3,(H,14,18)(H,15,16)(H,19,20).
What are the key properties of 2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid?
2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid has a molecular weight of 280.33 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116683852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).