2-[3-(1-pyrazol-1-ylpropan-2-ylamino)azetidin-3-yl]acetic acid

C11H18N4O2 — CID 107142581

IUPAC2-[3-(1-pyrazol-1-ylpropan-2-ylamino)azetidin-3-yl]acetic acid
SMILESCC(Cn1cccn1)NC1(CC(=O)O)CNC1
InChIInChI=1S/C11H18N4O2/c1-9(6-15-4-2-3-13-15)14-11(5-10(16)17)7-12-8-11/h2-4,9,12,14H,5-8H2,1H3,(H,16,17)
InChIKeyZEPFMZMQJCYWFZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.32
Rot. Bonds6

About 2-[3-(1-pyrazol-1-ylpropan-2-ylamino)azetidin-3-yl]acetic acid

2-[3-(1-pyrazol-1-ylpropan-2-ylamino)azetidin-3-yl]acetic acid (PubChem CID 107142581) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[3-(1-pyrazol-1-ylpropan-2-ylamino)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(1-pyrazol-1-ylpropan-2-ylamino)azetidin-3-yl]acetic acid
PubChem CID107142581
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-[3-(1-pyrazol-1-ylpropan-2-ylamino)azetidin-3-yl]acetic acid
SMILESCC(Cn1cccn1)NC1(CC(=O)O)CNC1
InChIInChI=1S/C11H18N4O2/c1-9(6-15-4-2-3-13-15)14-11(5-10(16)17)7-12-8-11/h2-4,9,12,14H,5-8H2,1H3,(H,16,17)
InChIKeyZEPFMZMQJCYWFZ-UHFFFAOYSA-N
XLogP-0.32
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64702045
3-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 106979794
2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid
CID 61462644
3-propyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 63139178
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
1-amino-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide
CID 65463788
1-phenyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]cyclopropane-1-carboxamide
CID 95593407
N-[(2R)-1-pyrazol-1-ylpropan-2-yl]azetidine-1-carboxamide
CID 94031085
1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 115583841
2-[3-[1-(2-chlorophenyl)ethylamino]azetidin-3-yl]acetic acid
CID 107142528
2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54951710
N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119958433

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-pyrazol-1-ylpropan-2-ylamino)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(1-pyrazol-1-ylpropan-2-ylamino)azetidin-3-yl]acetic acid (CID 107142581) is 2-[3-(1-pyrazol-1-ylpropan-2-ylamino)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(1-pyrazol-1-ylpropan-2-ylamino)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(1-pyrazol-1-ylpropan-2-ylamino)azetidin-3-yl]acetic acid is CC(Cn1cccn1)NC1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-(1-pyrazol-1-ylpropan-2-ylamino)azetidin-3-yl]acetic acid?
The InChIKey is ZEPFMZMQJCYWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-9(6-15-4-2-3-13-15)14-11(5-10(16)17)7-12-8-11/h2-4,9,12,14H,5-8H2,1H3,(H,16,17).
What are the key properties of 2-[3-(1-pyrazol-1-ylpropan-2-ylamino)azetidin-3-yl]acetic acid?
2-[3-(1-pyrazol-1-ylpropan-2-ylamino)azetidin-3-yl]acetic acid has a molecular weight of 238.29 g/mol, XLogP of -0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-pyrazol-1-ylpropan-2-ylamino)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).