(3S)-8-[(2-fluorophenyl)methylcarbamoyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H24FN3O3 — CID 95726385

IUPAC(3S)-8-[(2-fluorophenyl)methylcarbamoyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCN1CC2(CCN(C(=O)NCc3ccccc3F)CC2)C[C@H]1C(=O)O
InChIInChI=1S/C18H24FN3O3/c1-21-12-18(10-15(21)16(23)24)6-8-22(9-7-18)17(25)20-11-13-4-2-3-5-14(13)19/h2-5,15H,6-12H2,1H3,(H,20,25)(H,23,24)/t15-/m0/s1
InChIKeyCXZQROYBFSELKN-HNNXBMFYSA-N
MW349.41 g/mol
LogP1.91
Rot. Bonds3

About (3S)-8-[(2-fluorophenyl)methylcarbamoyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3S)-8-[(2-fluorophenyl)methylcarbamoyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95726385) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is (3S)-8-[(2-fluorophenyl)methylcarbamoyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-8-[(2-fluorophenyl)methylcarbamoyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID95726385
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name(3S)-8-[(2-fluorophenyl)methylcarbamoyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCN1CC2(CCN(C(=O)NCc3ccccc3F)CC2)C[C@H]1C(=O)O
InChIInChI=1S/C18H24FN3O3/c1-21-12-18(10-15(21)16(23)24)6-8-22(9-7-18)17(25)20-11-13-4-2-3-5-14(13)19/h2-5,15H,6-12H2,1H3,(H,20,25)(H,23,24)/t15-/m0/s1
InChIKeyCXZQROYBFSELKN-HNNXBMFYSA-N
XLogP1.91
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-8-[(2-fluorophenyl)methylcarbamoyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

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Related Compounds

8-[(2-fluorophenyl)methylcarbamoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72842778
N-[(2-fluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56904752
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
(3R)-8-[(2-carboxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95724104
N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
1-[(2-fluorophenyl)methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719531
4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113103771
8-(5-chloro-2-fluorobenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56899230
(3R)-8-(2,4-difluoro-3-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95722543
(3S)-N-[(2,3-difluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95895254
4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 38947749
2-(2-fluorophenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)ethanone
CID 112534302

Frequently Asked Questions

What is the IUPAC name of (3S)-8-[(2-fluorophenyl)methylcarbamoyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3S)-8-[(2-fluorophenyl)methylcarbamoyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 95726385) is (3S)-8-[(2-fluorophenyl)methylcarbamoyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3S)-8-[(2-fluorophenyl)methylcarbamoyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3S)-8-[(2-fluorophenyl)methylcarbamoyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CN1CC2(CCN(C(=O)NCc3ccccc3F)CC2)C[C@H]1C(=O)O.
What is the InChIKey of (3S)-8-[(2-fluorophenyl)methylcarbamoyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is CXZQROYBFSELKN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-21-12-18(10-15(21)16(23)24)6-8-22(9-7-18)17(25)20-11-13-4-2-3-5-14(13)19/h2-5,15H,6-12H2,1H3,(H,20,25)(H,23,24)/t15-/m0/s1.
What are the key properties of (3S)-8-[(2-fluorophenyl)methylcarbamoyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3S)-8-[(2-fluorophenyl)methylcarbamoyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 349.41 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-[(2-fluorophenyl)methylcarbamoyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95726385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).