8-[(3-chloro-4-methoxyphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C17H20ClN3O5 — CID 72866584

IUPAC8-[(3-chloro-4-methoxyphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCOc1ccc(NC(=O)N2CCC3(CC2)NC(=O)CC3C(=O)O)cc1Cl
InChIInChI=1S/C17H20ClN3O5/c1-26-13-3-2-10(8-12(13)18)19-16(25)21-6-4-17(5-7-21)11(15(23)24)9-14(22)20-17/h2-3,8,11H,4-7,9H2,1H3,(H,19,25)(H,20,22)(H,23,24)
InChIKeySTFNMFDRVPORCY-UHFFFAOYSA-N
MW381.82 g/mol
LogP1.94
Rot. Bonds3

About 8-[(3-chloro-4-methoxyphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-[(3-chloro-4-methoxyphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72866584) has the molecular formula C17H20ClN3O5 and a molecular weight of 381.82 g/mol. Its IUPAC name is 8-[(3-chloro-4-methoxyphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-[(3-chloro-4-methoxyphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72866584
Molecular FormulaC17H20ClN3O5
Molecular Weight381.82 g/mol
Exact Mass381.11
IUPAC Name8-[(3-chloro-4-methoxyphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCOc1ccc(NC(=O)N2CCC3(CC2)NC(=O)CC3C(=O)O)cc1Cl
InChIInChI=1S/C17H20ClN3O5/c1-26-13-3-2-10(8-12(13)18)19-16(25)21-6-4-17(5-7-21)11(15(23)24)9-14(22)20-17/h2-3,8,11H,4-7,9H2,1H3,(H,19,25)(H,20,22)(H,23,24)
InChIKeySTFNMFDRVPORCY-UHFFFAOYSA-N
XLogP1.94
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-chloro-4-methoxyphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-[(3-chloro-4-methoxyphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72866584) is 8-[(3-chloro-4-methoxyphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-[(3-chloro-4-methoxyphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-[(3-chloro-4-methoxyphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is COc1ccc(NC(=O)N2CCC3(CC2)NC(=O)CC3C(=O)O)cc1Cl.
What is the InChIKey of 8-[(3-chloro-4-methoxyphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is STFNMFDRVPORCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O5/c1-26-13-3-2-10(8-12(13)18)19-16(25)21-6-4-17(5-7-21)11(15(23)24)9-14(22)20-17/h2-3,8,11H,4-7,9H2,1H3,(H,19,25)(H,20,22)(H,23,24).
What are the key properties of 8-[(3-chloro-4-methoxyphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-[(3-chloro-4-methoxyphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 381.82 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-chloro-4-methoxyphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72866584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).