2-[2-oxo-5-[(5R)-3-oxo-9-pyridin-3-yl-2,9-diazaspiro[4.5]decan-2-yl]-1-pyridinyl]acetic acid

C20H22N4O4 — CID 176809221

IUPAC2-[2-oxo-5-[(5R)-3-oxo-9-pyridin-3-yl-2,9-diazaspiro[4.5]decan-2-yl]-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(N2C[C@]3(CCCN(c4cccnc4)C3)CC2=O)ccc1=O
InChIInChI=1S/C20H22N4O4/c25-17-5-4-16(11-23(17)12-19(27)28)24-14-20(9-18(24)26)6-2-8-22(13-20)15-3-1-7-21-10-15/h1,3-5,7,10-11H,2,6,8-9,12-14H2,(H,27,28)/t20-/m1/s1
InChIKeyIYEOKUIFGQRUOJ-HXUWFJFHSA-N
MW382.42 g/mol
LogP1.35
Rot. Bonds4

About 2-[2-oxo-5-[(5R)-3-oxo-9-pyridin-3-yl-2,9-diazaspiro[4.5]decan-2-yl]-1-pyridinyl]acetic acid

2-[2-oxo-5-[(5R)-3-oxo-9-pyridin-3-yl-2,9-diazaspiro[4.5]decan-2-yl]-1-pyridinyl]acetic acid (PubChem CID 176809221) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[2-oxo-5-[(5R)-3-oxo-9-pyridin-3-yl-2,9-diazaspiro[4.5]decan-2-yl]-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-5-[(5R)-3-oxo-9-pyridin-3-yl-2,9-diazaspiro[4.5]decan-2-yl]-1-pyridinyl]acetic acid
PubChem CID176809221
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name2-[2-oxo-5-[(5R)-3-oxo-9-pyridin-3-yl-2,9-diazaspiro[4.5]decan-2-yl]-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(N2C[C@]3(CCCN(c4cccnc4)C3)CC2=O)ccc1=O
InChIInChI=1S/C20H22N4O4/c25-17-5-4-16(11-23(17)12-19(27)28)24-14-20(9-18(24)26)6-2-8-22(13-20)15-3-1-7-21-10-15/h1,3-5,7,10-11H,2,6,8-9,12-14H2,(H,27,28)/t20-/m1/s1
InChIKeyIYEOKUIFGQRUOJ-HXUWFJFHSA-N
XLogP1.35
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-oxo-5-[(5R)-3-oxo-9-pyridin-3-yl-2,9-diazaspiro[4.5]decan-2-yl]-1-pyridinyl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid
CID 169213851
7-(pyrazolidine-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 134073213
bis(6-pyridin-3-yl-2,6-diazaspiro[3.3]heptan-2-yl)methanone
CID 172702037
2-[4-cyclopropyl-2-oxo-5-[[(3R)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid
CID 169214216
cyclopentyl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072825
2-(3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-7-yl)acetic acid
CID 131656083
3-oxo-2-phenyl-N-propan-2-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118741086
(6R)-N-hydroxy-2'-oxo-1'-pyridin-3-ylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide
CID 122616404
(6S)-N-hydroxy-2'-oxo-1'-pyridin-3-ylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide
CID 122616426
2-pyridin-3-yl-2,7-diazaspiro[4.4]nonane
CID 10262309
5-(4-methylcyclohexen-1-yl)-1-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]pyridin-2-one
CID 156808557
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-[(5R)-3-oxo-9-pyridin-3-yl-2,9-diazaspiro[4.5]decan-2-yl]-1-pyridinyl]acetic acid?
The IUPAC name of 2-[2-oxo-5-[(5R)-3-oxo-9-pyridin-3-yl-2,9-diazaspiro[4.5]decan-2-yl]-1-pyridinyl]acetic acid (CID 176809221) is 2-[2-oxo-5-[(5R)-3-oxo-9-pyridin-3-yl-2,9-diazaspiro[4.5]decan-2-yl]-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-oxo-5-[(5R)-3-oxo-9-pyridin-3-yl-2,9-diazaspiro[4.5]decan-2-yl]-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-oxo-5-[(5R)-3-oxo-9-pyridin-3-yl-2,9-diazaspiro[4.5]decan-2-yl]-1-pyridinyl]acetic acid is O=C(O)Cn1cc(N2C[C@]3(CCCN(c4cccnc4)C3)CC2=O)ccc1=O.
What is the InChIKey of 2-[2-oxo-5-[(5R)-3-oxo-9-pyridin-3-yl-2,9-diazaspiro[4.5]decan-2-yl]-1-pyridinyl]acetic acid?
The InChIKey is IYEOKUIFGQRUOJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22N4O4/c25-17-5-4-16(11-23(17)12-19(27)28)24-14-20(9-18(24)26)6-2-8-22(13-20)15-3-1-7-21-10-15/h1,3-5,7,10-11H,2,6,8-9,12-14H2,(H,27,28)/t20-/m1/s1.
What are the key properties of 2-[2-oxo-5-[(5R)-3-oxo-9-pyridin-3-yl-2,9-diazaspiro[4.5]decan-2-yl]-1-pyridinyl]acetic acid?
2-[2-oxo-5-[(5R)-3-oxo-9-pyridin-3-yl-2,9-diazaspiro[4.5]decan-2-yl]-1-pyridinyl]acetic acid has a molecular weight of 382.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-[(5R)-3-oxo-9-pyridin-3-yl-2,9-diazaspiro[4.5]decan-2-yl]-1-pyridinyl]acetic acid is sourced from PubChem (CID 176809221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).