8-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C17H20ClN3O4 — CID 72939735

IUPAC8-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESO=C1CC(C(=O)O)C2(CCN(C(=O)NCc3ccc(Cl)cc3)CC2)N1
InChIInChI=1S/C17H20ClN3O4/c18-12-3-1-11(2-4-12)10-19-16(25)21-7-5-17(6-8-21)13(15(23)24)9-14(22)20-17/h1-4,13H,5-10H2,(H,19,25)(H,20,22)(H,23,24)
InChIKeyKPYSGFGSKMFSCI-UHFFFAOYSA-N
MW365.82 g/mol
LogP1.60
Rot. Bonds3

About 8-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72939735) has the molecular formula C17H20ClN3O4 and a molecular weight of 365.82 g/mol. Its IUPAC name is 8-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72939735
Molecular FormulaC17H20ClN3O4
Molecular Weight365.82 g/mol
Exact Mass365.11
IUPAC Name8-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESO=C1CC(C(=O)O)C2(CCN(C(=O)NCc3ccc(Cl)cc3)CC2)N1
InChIInChI=1S/C17H20ClN3O4/c18-12-3-1-11(2-4-12)10-19-16(25)21-7-5-17(6-8-21)13(15(23)24)9-14(22)20-17/h1-4,13H,5-10H2,(H,19,25)(H,20,22)(H,23,24)
InChIKeyKPYSGFGSKMFSCI-UHFFFAOYSA-N
XLogP1.60
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-1-(4-(4-chlorobenzylamino)-4-oxobutanoyl)pyrrolidine-2-carboxylic acid
CID 46889286
2-[(3S,4R)-3-[[1-(cyclohexen-1-ylmethyl)piperidin-4-yl]carbamoyl]-1-[(2,6-dichlorophenyl)methyl]-4-methylpyrrolidin-3-yl]acetic acid
CID 71293699
8-(5-Chloro-2-fluorobenzyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72845876
8-{[(2-Chlorophenyl)amino]carbonyl}-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72851726
8-(2-Chloro-5-fluorobenzyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72855383
8-{[(3-Chloro-2-methylphenyl)amino]carbonyl}-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72861316
8-(2-Chloro-4-fluorobenzyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72865526
8-(4-Chloro-2-fluorobenzyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72865752
8-(3-Chloro-4-fluorobenzyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72892971
8-(4-Chloro-3-fluorobenzyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72905176
8-({[2-(2-Fluorophenyl)ethyl]amino}carbonyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72917556
8-(3,4-Dichlorobenzyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72929508

Frequently Asked Questions

What is the IUPAC name of 8-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72939735) is 8-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is O=C1CC(C(=O)O)C2(CCN(C(=O)NCc3ccc(Cl)cc3)CC2)N1.
What is the InChIKey of 8-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is KPYSGFGSKMFSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4/c18-12-3-1-11(2-4-12)10-19-16(25)21-7-5-17(6-8-21)13(15(23)24)9-14(22)20-17/h1-4,13H,5-10H2,(H,19,25)(H,20,22)(H,23,24).
What are the key properties of 8-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 365.82 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72939735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).