2-[3-[[2-[(2R)-oxan-2-yl]acetyl]amino]pyrazol-1-yl]acetic acid

C12H17N3O4 — CID 129402351

IUPAC2-[3-[[2-[(2R)-oxan-2-yl]acetyl]amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)C[C@H]2CCCCO2)n1
InChIInChI=1S/C12H17N3O4/c16-11(7-9-3-1-2-6-19-9)13-10-4-5-15(14-10)8-12(17)18/h4-5,9H,1-3,6-8H2,(H,17,18)(H,13,14,16)/t9-/m1/s1
InChIKeyCLCZJDNQOJRPMG-SECBINFHSA-N
MW267.28 g/mol
LogP0.87
Rot. Bonds5

About 2-[3-[[2-[(2R)-oxan-2-yl]acetyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[2-[(2R)-oxan-2-yl]acetyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 129402351) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[3-[[2-[(2R)-oxan-2-yl]acetyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-[(2R)-oxan-2-yl]acetyl]amino]pyrazol-1-yl]acetic acid
PubChem CID129402351
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[3-[[2-[(2R)-oxan-2-yl]acetyl]amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)C[C@H]2CCCCO2)n1
InChIInChI=1S/C12H17N3O4/c16-11(7-9-3-1-2-6-19-9)13-10-4-5-15(14-10)8-12(17)18/h4-5,9H,1-3,6-8H2,(H,17,18)(H,13,14,16)/t9-/m1/s1
InChIKeyCLCZJDNQOJRPMG-SECBINFHSA-N
XLogP0.87
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[[2-(oxan-2-yl)acetyl]amino]indol-1-yl]acetic acid
CID 120687451
2-(oxolan-2-yl)-N-pyridin-2-ylacetamide
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2-[3-(thiane-4-carbonylamino)pyrazol-1-yl]acetic acid
CID 120524678
2-[(2S)-oxan-2-yl]-N-pyrazin-2-ylacetamide
CID 97309242
2-[(2R)-oxolan-2-yl]-N-(5-phenyl-2-pyridinyl)acetamide
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1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94182642
2-[(2R)-oxan-2-yl]-N-(4-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 97338410
N-(6-chloropyrazin-2-yl)-2-(oxolan-2-yl)acetamide
CID 104819962
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
2-[3-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pyrazol-1-yl]acetic acid
CID 124570069
2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110425035
3-fluoro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]benzoic acid
CID 129372952

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-[(2R)-oxan-2-yl]acetyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[2-[(2R)-oxan-2-yl]acetyl]amino]pyrazol-1-yl]acetic acid (CID 129402351) is 2-[3-[[2-[(2R)-oxan-2-yl]acetyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[2-[(2R)-oxan-2-yl]acetyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[2-[(2R)-oxan-2-yl]acetyl]amino]pyrazol-1-yl]acetic acid is O=C(O)Cn1ccc(NC(=O)C[C@H]2CCCCO2)n1.
What is the InChIKey of 2-[3-[[2-[(2R)-oxan-2-yl]acetyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is CLCZJDNQOJRPMG-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-11(7-9-3-1-2-6-19-9)13-10-4-5-15(14-10)8-12(17)18/h4-5,9H,1-3,6-8H2,(H,17,18)(H,13,14,16)/t9-/m1/s1.
What are the key properties of 2-[3-[[2-[(2R)-oxan-2-yl]acetyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[2-[(2R)-oxan-2-yl]acetyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-[(2R)-oxan-2-yl]acetyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 129402351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).