1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid

C11H15N3O4 — CID 95804209

IUPAC1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid
SMILESCOCC(=O)N1CC[C@@H](n2cc(C(=O)O)cn2)C1
InChIInChI=1S/C11H15N3O4/c1-18-7-10(15)13-3-2-9(6-13)14-5-8(4-12-14)11(16)17/h4-5,9H,2-3,6-7H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyDDCSPCGDBGYDSF-SECBINFHSA-N
MW253.26 g/mol
LogP0.00
Rot. Bonds4

About 1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid

1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid (PubChem CID 95804209) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid
PubChem CID95804209
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid
SMILESCOCC(=O)N1CC[C@@H](n2cc(C(=O)O)cn2)C1
InChIInChI=1S/C11H15N3O4/c1-18-7-10(15)13-3-2-9(6-13)14-5-8(4-12-14)11(16)17/h4-5,9H,2-3,6-7H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyDDCSPCGDBGYDSF-SECBINFHSA-N
XLogP0.00
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(2-methoxyacetyl)piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
CID 95826381
1-[(3R)-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid
CID 97252988
1-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid
CID 97252996
1-[(3R)-1-[3-(5-methylfuran-2-yl)propanoyl]piperidin-3-yl]pyrazole-4-carboxylic acid
CID 97252992
1-[1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidin-4-yl]pyrazole-4-carboxylic acid
CID 129469400
1-[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126947939
1-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid
CID 129469236
1-[1-(4-tert-butylcyclohexanecarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 86814563
2-methoxy-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone
CID 145013525
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 131453126
tert-butyl 4-(4-propanoylpyrazol-1-yl)piperidine-1-carboxylate
CID 155207963
1-(3-hydroxycyclopentyl)pyrazole-4-carboxylic acid
CID 84733356

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid (CID 95804209) is 1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid is COCC(=O)N1CC[C@@H](n2cc(C(=O)O)cn2)C1.
What is the InChIKey of 1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid?
The InChIKey is DDCSPCGDBGYDSF-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-18-7-10(15)13-3-2-9(6-13)14-5-8(4-12-14)11(16)17/h4-5,9H,2-3,6-7H2,1H3,(H,16,17)/t9-/m1/s1.
What are the key properties of 1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid?
1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 95804209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).