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

C17H20ClN3O4 — CID 72861316

IUPAC8-[(3-chloro-2-methylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1c(Cl)cccc1NC(=O)N1CCC2(CC1)NC(=O)CC2C(=O)O
InChIInChI=1S/C17H20ClN3O4/c1-10-12(18)3-2-4-13(10)19-16(25)21-7-5-17(6-8-21)11(15(23)24)9-14(22)20-17/h2-4,11H,5-9H2,1H3,(H,19,25)(H,20,22)(H,23,24)
InChIKeyCBRYQQCXTGIVSL-UHFFFAOYSA-N
MW365.82 g/mol
LogP2.24
Rot. Bonds2

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

8-[(3-chloro-2-methylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72861316) has the molecular formula C17H20ClN3O4 and a molecular weight of 365.82 g/mol. Its IUPAC name is 8-[(3-chloro-2-methylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-[(3-chloro-2-methylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72861316
Molecular FormulaC17H20ClN3O4
Molecular Weight365.82 g/mol
Exact Mass365.11
IUPAC Name8-[(3-chloro-2-methylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1c(Cl)cccc1NC(=O)N1CCC2(CC1)NC(=O)CC2C(=O)O
InChIInChI=1S/C17H20ClN3O4/c1-10-12(18)3-2-4-13(10)19-16(25)21-7-5-17(6-8-21)11(15(23)24)9-14(22)20-17/h2-4,11H,5-9H2,1H3,(H,19,25)(H,20,22)(H,23,24)
InChIKeyCBRYQQCXTGIVSL-UHFFFAOYSA-N
XLogP2.24
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-chloro-2-methylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-[(3-chloro-2-methylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72861316) is 8-[(3-chloro-2-methylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-[(3-chloro-2-methylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-[(3-chloro-2-methylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1c(Cl)cccc1NC(=O)N1CCC2(CC1)NC(=O)CC2C(=O)O.
What is the InChIKey of 8-[(3-chloro-2-methylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is CBRYQQCXTGIVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4/c1-10-12(18)3-2-4-13(10)19-16(25)21-7-5-17(6-8-21)11(15(23)24)9-14(22)20-17/h2-4,11H,5-9H2,1H3,(H,19,25)(H,20,22)(H,23,24).
What are the key properties of 8-[(3-chloro-2-methylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-[(3-chloro-2-methylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 365.82 g/mol, XLogP of 2.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-chloro-2-methylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72861316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).