(4R)-8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C14H19N5O3 — CID 97191552

IUPAC(4R)-8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1cc(N2CCC3(CC2)NC(=O)C[C@H]3C(=O)O)nc(N)n1
InChIInChI=1S/C14H19N5O3/c1-8-6-10(17-13(15)16-8)19-4-2-14(3-5-19)9(12(21)22)7-11(20)18-14/h6,9H,2-5,7H2,1H3,(H,18,20)(H,21,22)(H2,15,16,17)/t9-/m0/s1
InChIKeyVHIALAUFTRBTPY-VIFPVBQESA-N
MW305.34 g/mol
LogP-0.07
Rot. Bonds2

About (4R)-8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

(4R)-8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 97191552) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is (4R)-8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID97191552
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name(4R)-8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1cc(N2CCC3(CC2)NC(=O)C[C@H]3C(=O)O)nc(N)n1
InChIInChI=1S/C14H19N5O3/c1-8-6-10(17-13(15)16-8)19-4-2-14(3-5-19)9(12(21)22)7-11(20)18-14/h6,9H,2-5,7H2,1H3,(H,18,20)(H,21,22)(H2,15,16,17)/t9-/m0/s1
InChIKeyVHIALAUFTRBTPY-VIFPVBQESA-N
XLogP-0.07
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of (4R)-8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 97191552) is (4R)-8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for (4R)-8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for (4R)-8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1cc(N2CCC3(CC2)NC(=O)C[C@H]3C(=O)O)nc(N)n1.
What is the InChIKey of (4R)-8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is VHIALAUFTRBTPY-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19N5O3/c1-8-6-10(17-13(15)16-8)19-4-2-14(3-5-19)9(12(21)22)7-11(20)18-14/h6,9H,2-5,7H2,1H3,(H,18,20)(H,21,22)(H2,15,16,17)/t9-/m0/s1.
What are the key properties of (4R)-8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
(4R)-8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 305.34 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 97191552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).