2-[4-[[2-(cyclopropylmethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

C13H19N3O4 — CID 120696993

IUPAC2-[4-[[2-(cyclopropylmethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)COCC2CC2)cn1
InChIInChI=1S/C13H19N3O4/c1-13(2,12(18)19)16-6-10(5-14-16)15-11(17)8-20-7-9-3-4-9/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyKVRBISPKAAPWKO-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.07
Rot. Bonds7

About 2-[4-[[2-(cyclopropylmethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[4-[[2-(cyclopropylmethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120696993) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[4-[[2-(cyclopropylmethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[2-(cyclopropylmethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120696993
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[4-[[2-(cyclopropylmethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)COCC2CC2)cn1
InChIInChI=1S/C13H19N3O4/c1-13(2,12(18)19)16-6-10(5-14-16)15-11(17)8-20-7-9-3-4-9/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyKVRBISPKAAPWKO-UHFFFAOYSA-N
XLogP1.07
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[2-(2-methoxyethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696437
2-[4-[(2-cyclohexylacetyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696628
2-methyl-2-[4-(3-propan-2-yloxypropanoylamino)pyrazol-1-yl]propanoic acid
CID 120696798
2-methyl-2-[4-[(2-propan-2-ylsulfonylacetyl)amino]pyrazol-1-yl]propanoic acid
CID 120696216
2-[4-[(4,4-difluorocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696423
2-[4-(2,3-dimethylpentanoylamino)pyrazol-1-yl]-2-methylpropanoic acid
CID 120697322
2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696739
2-methyl-2-[4-(spiro[2.2]pentane-2-carbonylamino)pyrazol-1-yl]propanoic acid
CID 122108714
2-[4-[3-(4-methoxyphenyl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696934
2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697609
2-[4-[(1-ethylcyclopentanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697765
2-methyl-2-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyrazol-1-yl]propanoic acid
CID 120697013

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(cyclopropylmethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[2-(cyclopropylmethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 120696993) is 2-[4-[[2-(cyclopropylmethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[2-(cyclopropylmethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[2-(cyclopropylmethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)n1cc(NC(=O)COCC2CC2)cn1.
What is the InChIKey of 2-[4-[[2-(cyclopropylmethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is KVRBISPKAAPWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-13(2,12(18)19)16-6-10(5-14-16)15-11(17)8-20-7-9-3-4-9/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[4-[[2-(cyclopropylmethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-[[2-(cyclopropylmethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(cyclopropylmethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120696993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).