2-[9-[(3-ethylphenyl)carbamoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid

C20H27N3O4 — CID 70706545

IUPAC2-[9-[(3-ethylphenyl)carbamoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
SMILESCCc1cccc(NC(=O)N2CCC3(CCC(=O)N(CC(=O)O)C3)CC2)c1
InChIInChI=1S/C20H27N3O4/c1-2-15-4-3-5-16(12-15)21-19(27)22-10-8-20(9-11-22)7-6-17(24)23(14-20)13-18(25)26/h3-5,12H,2,6-11,13-14H2,1H3,(H,21,27)(H,25,26)
InChIKeyFCRWLGFJRIGJSR-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.57
Rot. Bonds4

About 2-[9-[(3-ethylphenyl)carbamoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid

2-[9-[(3-ethylphenyl)carbamoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid (PubChem CID 70706545) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-[9-[(3-ethylphenyl)carbamoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[9-[(3-ethylphenyl)carbamoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
PubChem CID70706545
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name2-[9-[(3-ethylphenyl)carbamoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
SMILESCCc1cccc(NC(=O)N2CCC3(CCC(=O)N(CC(=O)O)C3)CC2)c1
InChIInChI=1S/C20H27N3O4/c1-2-15-4-3-5-16(12-15)21-19(27)22-10-8-20(9-11-22)7-6-17(24)23(14-20)13-18(25)26/h3-5,12H,2,6-11,13-14H2,1H3,(H,21,27)(H,25,26)
InChIKeyFCRWLGFJRIGJSR-UHFFFAOYSA-N
XLogP2.57
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[9-[(3-ethylphenyl)carbamoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid with MolForge

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70755232
2-(3-methoxypropyl)-N-(3-methylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70787450
N-(3-ethylphenyl)thiomorpholine-4-carboxamide
CID 3537953
N-butan-2-yl-3-oxo-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72931172
2-[3-oxo-9-(3-pyridin-4-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 86284128
N-(3-fluorophenyl)-3-oxo-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72924305
N-(2,5-difluorophenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70764179
2-benzyl-9-(2-ethylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72911476
N-benzyl-2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72916067
3-ethyl-N-(3-ethylphenyl)-13-(2-methoxyethyl)-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
CID 131640724
3-amino-1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324880
N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 81116359

Frequently Asked Questions

What is the IUPAC name of 2-[9-[(3-ethylphenyl)carbamoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid?
The IUPAC name of 2-[9-[(3-ethylphenyl)carbamoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid (CID 70706545) is 2-[9-[(3-ethylphenyl)carbamoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid.
What is the SMILES notation for 2-[9-[(3-ethylphenyl)carbamoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid?
The canonical SMILES for 2-[9-[(3-ethylphenyl)carbamoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid is CCc1cccc(NC(=O)N2CCC3(CCC(=O)N(CC(=O)O)C3)CC2)c1.
What is the InChIKey of 2-[9-[(3-ethylphenyl)carbamoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid?
The InChIKey is FCRWLGFJRIGJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-2-15-4-3-5-16(12-15)21-19(27)22-10-8-20(9-11-22)7-6-17(24)23(14-20)13-18(25)26/h3-5,12H,2,6-11,13-14H2,1H3,(H,21,27)(H,25,26).
What are the key properties of 2-[9-[(3-ethylphenyl)carbamoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid?
2-[9-[(3-ethylphenyl)carbamoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid has a molecular weight of 373.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[(3-ethylphenyl)carbamoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid is sourced from PubChem (CID 70706545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).