2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpyrazol-3-yl)acetic acid

C11H17N3O4 — CID 138040117

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpyrazol-3-yl)acetic acid
SMILESCn1nccc1C(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)13-8(9(15)16)7-5-6-12-14(7)4/h5-6,8H,1-4H3,(H,13,17)(H,15,16)
InChIKeyZLYJOEHRXLQMMO-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.07
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpyrazol-3-yl)acetic acid

2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpyrazol-3-yl)acetic acid (PubChem CID 138040117) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpyrazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpyrazol-3-yl)acetic acid
PubChem CID138040117
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpyrazol-3-yl)acetic acid
SMILESCn1nccc1C(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)13-8(9(15)16)7-5-6-12-14(7)4/h5-6,8H,1-4H3,(H,13,17)(H,15,16)
InChIKeyZLYJOEHRXLQMMO-UHFFFAOYSA-N
XLogP1.07
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[(tert-butoxy)carbonyl]amino}-2-(1,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 79584356
1H-Pyrazole-5-acetic acid, alpha-amino-1-methyl-, 1,1-dimethylethyl ester
CID 121582308
2-amino-2-(1-methyl-1H-pyrazol-3-yl)acetic acid hydrochloride
CID 132344535
methyl 2-amino-2-(1-methyl-1H-pyrazol-5-yl)acetate dihydrochloride
CID 155973177
2-{[(tert-butoxy)carbonyl]amino}-2-(1-ethyl-1H-pyrazol-5-yl)acetic acid
CID 165873025
2-Amino-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid
CID 83891017
2-Amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]acetic acid
CID 84660868
Methyl 2-amino-2-(1-methyl-1H-pyrazol-5-yl)acetate
CID 122163227
Tert-butyl 2-(2-methylpyrazol-3-yl)-2-[(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)carbamoylamino]acetate
CID 146092836
4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-4-carboxylic acid
CID 165662017
2-(1-methyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroacetamido)acetic acid
CID 165909806
2-(1-methyl-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroacetamido)acetic acid
CID 165938402

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpyrazol-3-yl)acetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpyrazol-3-yl)acetic acid (CID 138040117) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpyrazol-3-yl)acetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpyrazol-3-yl)acetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpyrazol-3-yl)acetic acid is Cn1nccc1C(NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpyrazol-3-yl)acetic acid?
The InChIKey is ZLYJOEHRXLQMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)13-8(9(15)16)7-5-6-12-14(7)4/h5-6,8H,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpyrazol-3-yl)acetic acid?
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpyrazol-3-yl)acetic acid has a molecular weight of 255.27 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpyrazol-3-yl)acetic acid is sourced from PubChem (CID 138040117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).