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

C12H18N4O3 — CID 64618242

IUPAC2-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
SMILESCN(Cc1cnn(C)c1)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C12H18N4O3/c1-14(5-10-4-13-15(2)6-10)12(19)16-7-9(8-16)3-11(17)18/h4,6,9H,3,5,7-8H2,1-2H3,(H,17,18)
InChIKeyKHJUNOQDGURTCR-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.38
Rot. Bonds4

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

2-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid (PubChem CID 64618242) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
PubChem CID64618242
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
SMILESCN(Cc1cnn(C)c1)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C12H18N4O3/c1-14(5-10-4-13-15(2)6-10)12(19)16-7-9(8-16)3-11(17)18/h4,6,9H,3,5,7-8H2,1-2H3,(H,17,18)
InChIKeyKHJUNOQDGURTCR-UHFFFAOYSA-N
XLogP0.38
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]piperazin-1-yl]acetic acid
CID 61439912
2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid
CID 64617071
2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid
CID 64616119
2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 61440246
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
2-[carboxymethyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 63644606
2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 3361482
2-(cyclopropylmethylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 54869359
4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63784679
2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
CID 64618420
4-methoxy-1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61439869
2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropanoic acid
CID 82820708

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid (CID 64618242) is 2-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid is CN(Cc1cnn(C)c1)C(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is KHJUNOQDGURTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-14(5-10-4-13-15(2)6-10)12(19)16-7-9(8-16)3-11(17)18/h4,6,9H,3,5,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid?
2-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).