2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid

C11H16N4O3 — CID 64617071

IUPAC2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid
SMILESCn1cc(CNC(=O)N2CC(CC(=O)O)C2)cn1
InChIInChI=1S/C11H16N4O3/c1-14-5-9(4-13-14)3-12-11(18)15-6-8(7-15)2-10(16)17/h4-5,8H,2-3,6-7H2,1H3,(H,12,18)(H,16,17)
InChIKeyNPLLXLYHWZPJNY-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.04
Rot. Bonds4

About 2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid

2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid (PubChem CID 64617071) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid
PubChem CID64617071
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid
SMILESCn1cc(CNC(=O)N2CC(CC(=O)O)C2)cn1
InChIInChI=1S/C11H16N4O3/c1-14-5-9(4-13-14)3-12-11(18)15-6-8(7-15)2-10(16)17/h4-5,8H,2-3,6-7H2,1H3,(H,12,18)(H,16,17)
InChIKeyNPLLXLYHWZPJNY-UHFFFAOYSA-N
XLogP0.04
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(pyridin-4-ylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64619007
N-[(1-methylpyrazol-4-yl)methyl]azepane-1-carboxamide
CID 115590808
2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid
CID 64616119
2-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
CID 64618242
2-[1-(pyridin-3-ylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64619006
(2R,6R)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenylmorpholine-4-carboxamide
CID 95195537
N-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855406
N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide
CID 71990477
2-[2-[(1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569715
3-[(1-methylpyrazol-4-yl)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1-carboxamide
CID 136511913
2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]-3-oxopropanoic acid
CID 82820912
3-[(1-methylpyrazol-4-yl)methyl]-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 71865708

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid (CID 64617071) is 2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid is Cn1cc(CNC(=O)N2CC(CC(=O)O)C2)cn1.
What is the InChIKey of 2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is NPLLXLYHWZPJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-14-5-9(4-13-14)3-12-11(18)15-6-8(7-15)2-10(16)17/h4-5,8H,2-3,6-7H2,1H3,(H,12,18)(H,16,17).
What are the key properties of 2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid?
2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64617071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).