(2R)-2-[(2-benzyl-2-azaspiro[4.5]decan-8-yl)amino]-6-(dimethylamino)hexanoic acid

C24H39N3O2 — CID 134523801

IUPAC(2R)-2-[(2-benzyl-2-azaspiro[4.5]decan-8-yl)amino]-6-(dimethylamino)hexanoic acid
SMILESCN(C)CCCC[C@@H](NC1CCC2(CC1)CCN(Cc1ccccc1)C2)C(=O)O
InChIInChI=1S/C24H39N3O2/c1-26(2)16-7-6-10-22(23(28)29)25-21-11-13-24(14-12-21)15-17-27(19-24)18-20-8-4-3-5-9-20/h3-5,8-9,21-22,25H,6-7,10-19H2,1-2H3,(H,28,29)/t21?,22-,24?/m1/s1
InChIKeyYUWPEOBKUPFSPU-XERBYJISSA-N
MW401.60 g/mol
LogP3.60
Rot. Bonds10

About (2R)-2-[(2-benzyl-2-azaspiro[4.5]decan-8-yl)amino]-6-(dimethylamino)hexanoic acid

(2R)-2-[(2-benzyl-2-azaspiro[4.5]decan-8-yl)amino]-6-(dimethylamino)hexanoic acid (PubChem CID 134523801) has the molecular formula C24H39N3O2 and a molecular weight of 401.60 g/mol. Its IUPAC name is (2R)-2-[(2-benzyl-2-azaspiro[4.5]decan-8-yl)amino]-6-(dimethylamino)hexanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-benzyl-2-azaspiro[4.5]decan-8-yl)amino]-6-(dimethylamino)hexanoic acid
PubChem CID134523801
Molecular FormulaC24H39N3O2
Molecular Weight401.60 g/mol
Exact Mass401.30
IUPAC Name(2R)-2-[(2-benzyl-2-azaspiro[4.5]decan-8-yl)amino]-6-(dimethylamino)hexanoic acid
SMILESCN(C)CCCC[C@@H](NC1CCC2(CC1)CCN(Cc1ccccc1)C2)C(=O)O
InChIInChI=1S/C24H39N3O2/c1-26(2)16-7-6-10-22(23(28)29)25-21-11-13-24(14-12-21)15-17-27(19-24)18-20-8-4-3-5-9-20/h3-5,8-9,21-22,25H,6-7,10-19H2,1-2H3,(H,28,29)/t21?,22-,24?/m1/s1
InChIKeyYUWPEOBKUPFSPU-XERBYJISSA-N
XLogP3.60
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.60
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-[(2-benzyl-2-azaspiro[4.5]decan-8-yl)amino]-6-(dimethylamino)hexanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[(2-benzyl-2-azaspiro[4.5]decan-8-yl)amino]-6-(dimethylamino)-1-[(2S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]hexan-1-one
CID 158993691
(2S)-1-[(2S)-2-[(2-benzyl-2-azaspiro[4.5]decan-8-yl)amino]-6-[bis(deuteriomethyl)amino]hexanoyl]-4-(2-cyclopentylacetyl)-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide
CID 153280667
2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)-N-cyclopropyl-N-methylacetamide
CID 136512159
2-benzyl-8-(chloromethyl)-2-azaspiro[4.5]decane
CID 71646570
3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one
CID 120873764
N-[(3S,4R)-1-[(2R)-2-[(2-benzyl-2-azaspiro[4.5]decan-8-yl)amino]-6-(methylsulfanylamino)hexanoyl]-3-(thiophen-2-ylmethylcarbamoyl)piperidin-4-yl]-6-azaspiro[2.5]octane-6-carboxamide
CID 155064987
3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one;hydrochloride
CID 120873763
(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone
CID 138035435
2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]hexanoic acid
CID 122039605
2-(cyclopropylamino)-4-phenylbutanoic acid
CID 62880586
(2S)-2-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]hexanoic acid
CID 122044845
3-(2-azaspiro[4.4]nonan-2-yl)-2-(cyclopropylamino)propanoic acid
CID 114279502

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-benzyl-2-azaspiro[4.5]decan-8-yl)amino]-6-(dimethylamino)hexanoic acid?
The IUPAC name of (2R)-2-[(2-benzyl-2-azaspiro[4.5]decan-8-yl)amino]-6-(dimethylamino)hexanoic acid (CID 134523801) is (2R)-2-[(2-benzyl-2-azaspiro[4.5]decan-8-yl)amino]-6-(dimethylamino)hexanoic acid.
What is the SMILES notation for (2R)-2-[(2-benzyl-2-azaspiro[4.5]decan-8-yl)amino]-6-(dimethylamino)hexanoic acid?
The canonical SMILES for (2R)-2-[(2-benzyl-2-azaspiro[4.5]decan-8-yl)amino]-6-(dimethylamino)hexanoic acid is CN(C)CCCC[C@@H](NC1CCC2(CC1)CCN(Cc1ccccc1)C2)C(=O)O.
What is the InChIKey of (2R)-2-[(2-benzyl-2-azaspiro[4.5]decan-8-yl)amino]-6-(dimethylamino)hexanoic acid?
The InChIKey is YUWPEOBKUPFSPU-XERBYJISSA-N. The full InChI is InChI=1S/C24H39N3O2/c1-26(2)16-7-6-10-22(23(28)29)25-21-11-13-24(14-12-21)15-17-27(19-24)18-20-8-4-3-5-9-20/h3-5,8-9,21-22,25H,6-7,10-19H2,1-2H3,(H,28,29)/t21?,22-,24?/m1/s1.
What are the key properties of (2R)-2-[(2-benzyl-2-azaspiro[4.5]decan-8-yl)amino]-6-(dimethylamino)hexanoic acid?
(2R)-2-[(2-benzyl-2-azaspiro[4.5]decan-8-yl)amino]-6-(dimethylamino)hexanoic acid has a molecular weight of 401.60 g/mol, XLogP of 3.60, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-benzyl-2-azaspiro[4.5]decan-8-yl)amino]-6-(dimethylamino)hexanoic acid is sourced from PubChem (CID 134523801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).