(4R)-8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C14H17ClN4O4 — CID 97122471

IUPAC(4R)-8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCn1cc(Cl)c(C(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)O)n1
InChIInChI=1S/C14H17ClN4O4/c1-18-7-9(15)11(17-18)12(21)19-4-2-14(3-5-19)8(13(22)23)6-10(20)16-14/h7-8H,2-6H2,1H3,(H,16,20)(H,22,23)/t8-/m0/s1
InChIKeyGUQACIFEZXFRCR-QMMMGPOBSA-N
MW340.77 g/mol
LogP0.27
Rot. Bonds2

About (4R)-8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

(4R)-8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 97122471) has the molecular formula C14H17ClN4O4 and a molecular weight of 340.77 g/mol. Its IUPAC name is (4R)-8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID97122471
Molecular FormulaC14H17ClN4O4
Molecular Weight340.77 g/mol
Exact Mass340.09
IUPAC Name(4R)-8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCn1cc(Cl)c(C(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)O)n1
InChIInChI=1S/C14H17ClN4O4/c1-18-7-9(15)11(17-18)12(21)19-4-2-14(3-5-19)8(13(22)23)6-10(20)16-14/h7-8H,2-6H2,1H3,(H,16,20)(H,22,23)/t8-/m0/s1
InChIKeyGUQACIFEZXFRCR-QMMMGPOBSA-N
XLogP0.27
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of (4R)-8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 97122471) is (4R)-8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for (4R)-8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for (4R)-8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cn1cc(Cl)c(C(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)O)n1.
What is the InChIKey of (4R)-8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is GUQACIFEZXFRCR-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H17ClN4O4/c1-18-7-9(15)11(17-18)12(21)19-4-2-14(3-5-19)8(13(22)23)6-10(20)16-14/h7-8H,2-6H2,1H3,(H,16,20)(H,22,23)/t8-/m0/s1.
What are the key properties of (4R)-8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
(4R)-8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 340.77 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 97122471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).