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

C21H25N3O3 — CID 70775919

IUPAC2-[3-oxo-9-(quinolin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
SMILESO=C(O)CN1CC2(CCC1=O)CCN(Cc1ccc3ccccc3n1)CC2
InChIInChI=1S/C21H25N3O3/c25-19-7-8-21(15-24(19)14-20(26)27)9-11-23(12-10-21)13-17-6-5-16-3-1-2-4-18(16)22-17/h1-6H,7-15H2,(H,26,27)
InChIKeyPUSSDNFMXSTYSM-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.52
Rot. Bonds4

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

2-[3-oxo-9-(quinolin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid (PubChem CID 70775919) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[3-oxo-9-(quinolin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-oxo-9-(quinolin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
PubChem CID70775919
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-[3-oxo-9-(quinolin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
SMILESO=C(O)CN1CC2(CCC1=O)CCN(Cc1ccc3ccccc3n1)CC2
InChIInChI=1S/C21H25N3O3/c25-19-7-8-21(15-24(19)14-20(26)27)9-11-23(12-10-21)13-17-6-5-16-3-1-2-4-18(16)22-17/h1-6H,7-15H2,(H,26,27)
InChIKeyPUSSDNFMXSTYSM-UHFFFAOYSA-N
XLogP2.52
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-oxo-9-(3-phenylbutyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 70712410
2-ethyl-9-[(8-fluoroquinolin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70718280
2-[9-[(1-ethylpyrazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 70782523
2-[9-[(2-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
CID 70754294
2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-[16-(quinolin-2-ylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 11535329
2-[9-[(1-ethylpyrazol-3-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
CID 70769966
2-[3-oxo-9-(3-pyridin-4-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 86284128
1-[2-[2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one
CID 133140365
(2R)-2-[2-[(2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]phenoxy]propanoic acid
CID 97152498
2-[9-[(3-ethylphenyl)carbamoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 70706545
2-benzyl-9-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70756757
[4-[(2-chlorophenyl)methyl]-1-(quinolin-2-ylmethyl)piperidin-4-yl]methanol
CID 25275868

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-9-(quinolin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid?
The IUPAC name of 2-[3-oxo-9-(quinolin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid (CID 70775919) is 2-[3-oxo-9-(quinolin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid.
What is the SMILES notation for 2-[3-oxo-9-(quinolin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid?
The canonical SMILES for 2-[3-oxo-9-(quinolin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid is O=C(O)CN1CC2(CCC1=O)CCN(Cc1ccc3ccccc3n1)CC2.
What is the InChIKey of 2-[3-oxo-9-(quinolin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid?
The InChIKey is PUSSDNFMXSTYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-19-7-8-21(15-24(19)14-20(26)27)9-11-23(12-10-21)13-17-6-5-16-3-1-2-4-18(16)22-17/h1-6H,7-15H2,(H,26,27).
What are the key properties of 2-[3-oxo-9-(quinolin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid?
2-[3-oxo-9-(quinolin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid has a molecular weight of 367.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-9-(quinolin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid is sourced from PubChem (CID 70775919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).