(3R)-8-(2-phenylethylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H25N3O3 — CID 97148975

IUPAC(3R)-8-(2-phenylethylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)[C@H]1CC2(CCN(C(=O)NCCc3ccccc3)CC2)CN1
InChIInChI=1S/C18H25N3O3/c22-16(23)15-12-18(13-20-15)7-10-21(11-8-18)17(24)19-9-6-14-4-2-1-3-5-14/h1-5,15,20H,6-13H2,(H,19,24)(H,22,23)/t15-/m1/s1
InChIKeyWRRHKHLKGGGFAS-OAHLLOKOSA-N
MW331.42 g/mol
LogP1.47
Rot. Bonds4

About (3R)-8-(2-phenylethylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3R)-8-(2-phenylethylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 97148975) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (3R)-8-(2-phenylethylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-8-(2-phenylethylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID97148975
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(3R)-8-(2-phenylethylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)[C@H]1CC2(CCN(C(=O)NCCc3ccccc3)CC2)CN1
InChIInChI=1S/C18H25N3O3/c22-16(23)15-12-18(13-20-15)7-10-21(11-8-18)17(24)19-9-6-14-4-2-1-3-5-14/h1-5,15,20H,6-13H2,(H,19,24)(H,22,23)/t15-/m1/s1
InChIKeyWRRHKHLKGGGFAS-OAHLLOKOSA-N
XLogP1.47
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72917920
(3R)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97145994
8-[(2-fluorophenyl)methylcarbamoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72842778
(4S)-2-oxo-8-(2-phenylethylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97207799
N-(2-phenylethyl)-4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91908254
N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113108912
4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 23819080
8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56914914
8-[2-(1,3-benzodioxol-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72863629
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721294
4-[2-[(4,4-difluoropiperidine-1-carbonyl)amino]ethyl]benzoic acid
CID 166240238

Frequently Asked Questions

What is the IUPAC name of (3R)-8-(2-phenylethylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3R)-8-(2-phenylethylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 97148975) is (3R)-8-(2-phenylethylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3R)-8-(2-phenylethylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3R)-8-(2-phenylethylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is O=C(O)[C@H]1CC2(CCN(C(=O)NCCc3ccccc3)CC2)CN1.
What is the InChIKey of (3R)-8-(2-phenylethylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is WRRHKHLKGGGFAS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-16(23)15-12-18(13-20-15)7-10-21(11-8-18)17(24)19-9-6-14-4-2-1-3-5-14/h1-5,15,20H,6-13H2,(H,19,24)(H,22,23)/t15-/m1/s1.
What are the key properties of (3R)-8-(2-phenylethylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3R)-8-(2-phenylethylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 331.42 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(2-phenylethylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 97148975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).