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

C18H23N3O4 — CID 97207799

IUPAC(4S)-2-oxo-8-(2-phenylethylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESO=C1C[C@H](C(=O)O)C2(CCN(C(=O)NCCc3ccccc3)CC2)N1
InChIInChI=1S/C18H23N3O4/c22-15-12-14(16(23)24)18(20-15)7-10-21(11-8-18)17(25)19-9-6-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,19,25)(H,20,22)(H,23,24)/t14-/m1/s1
InChIKeyLDZFRNLQIYCNEF-CQSZACIVSA-N
MW345.40 g/mol
LogP0.99
Rot. Bonds4

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

(4S)-2-oxo-8-(2-phenylethylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 97207799) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is (4S)-2-oxo-8-(2-phenylethylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-oxo-8-(2-phenylethylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID97207799
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name(4S)-2-oxo-8-(2-phenylethylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESO=C1C[C@H](C(=O)O)C2(CCN(C(=O)NCCc3ccccc3)CC2)N1
InChIInChI=1S/C18H23N3O4/c22-15-12-14(16(23)24)18(20-15)7-10-21(11-8-18)17(25)19-9-6-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,19,25)(H,20,22)(H,23,24)/t14-/m1/s1
InChIKeyLDZFRNLQIYCNEF-CQSZACIVSA-N
XLogP0.99
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-8-[(3-fluorophenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97130935
(3R)-8-(2-phenylethylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97148975
4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 23819080
N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113108912
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
N-(2-phenylethyl)-4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91908254
4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721294
(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28509967
4-[2-[(4,4-difluoropiperidine-1-carbonyl)amino]ethyl]benzoic acid
CID 166240238
4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108874
4-imidazol-1-yl-1-(2-phenylethylcarbamoyl)piperidine-4-carboxylic acid
CID 56884519
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468

Frequently Asked Questions

What is the IUPAC name of (4S)-2-oxo-8-(2-phenylethylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of (4S)-2-oxo-8-(2-phenylethylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 97207799) is (4S)-2-oxo-8-(2-phenylethylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for (4S)-2-oxo-8-(2-phenylethylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for (4S)-2-oxo-8-(2-phenylethylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid is O=C1C[C@H](C(=O)O)C2(CCN(C(=O)NCCc3ccccc3)CC2)N1.
What is the InChIKey of (4S)-2-oxo-8-(2-phenylethylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is LDZFRNLQIYCNEF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O4/c22-15-12-14(16(23)24)18(20-15)7-10-21(11-8-18)17(25)19-9-6-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,19,25)(H,20,22)(H,23,24)/t14-/m1/s1.
What are the key properties of (4S)-2-oxo-8-(2-phenylethylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
(4S)-2-oxo-8-(2-phenylethylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-oxo-8-(2-phenylethylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 97207799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).