(10S)-10-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid

C15H20ClN3O4 — CID 139370401

IUPAC(10S)-10-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid
SMILESO=C(O)N1CC[C@@](O)(Cn2cnc(Cl)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C15H20ClN3O4/c16-11-7-12(20)19(10-17-11)9-15(23)5-6-18(13(21)22)8-14(15)3-1-2-4-14/h7,10,23H,1-6,8-9H2,(H,21,22)/t15-/m1/s1
InChIKeyFNGWHGIOXCRXSB-OAHLLOKOSA-N
MW341.80 g/mol
LogP1.57
Rot. Bonds2

About (10S)-10-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid

(10S)-10-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid (PubChem CID 139370401) has the molecular formula C15H20ClN3O4 and a molecular weight of 341.80 g/mol. Its IUPAC name is (10S)-10-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid.

Molecular Properties

Compound Name(10S)-10-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid
PubChem CID139370401
Molecular FormulaC15H20ClN3O4
Molecular Weight341.80 g/mol
Exact Mass341.11
IUPAC Name(10S)-10-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid
SMILESO=C(O)N1CC[C@@](O)(Cn2cnc(Cl)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C15H20ClN3O4/c16-11-7-12(20)19(10-17-11)9-15(23)5-6-18(13(21)22)8-14(15)3-1-2-4-14/h7,10,23H,1-6,8-9H2,(H,21,22)/t15-/m1/s1
InChIKeyFNGWHGIOXCRXSB-OAHLLOKOSA-N
XLogP1.57
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (10S)-10-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid?
The IUPAC name of (10S)-10-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid (CID 139370401) is (10S)-10-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid.
What is the SMILES notation for (10S)-10-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid?
The canonical SMILES for (10S)-10-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid is O=C(O)N1CC[C@@](O)(Cn2cnc(Cl)cc2=O)C2(CCCC2)C1.
What is the InChIKey of (10S)-10-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid?
The InChIKey is FNGWHGIOXCRXSB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20ClN3O4/c16-11-7-12(20)19(10-17-11)9-15(23)5-6-18(13(21)22)8-14(15)3-1-2-4-14/h7,10,23H,1-6,8-9H2,(H,21,22)/t15-/m1/s1.
What are the key properties of (10S)-10-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid?
(10S)-10-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid has a molecular weight of 341.80 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid is sourced from PubChem (CID 139370401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).