cyclopentyl (2S)-3,3-dimethyl-2-[[(2R)-2-(methylaminomethyl)hexanoyl]amino]butanoate

C19H36N2O3 — CID 59087264

IUPACcyclopentyl (2S)-3,3-dimethyl-2-[[(2R)-2-(methylaminomethyl)hexanoyl]amino]butanoate
SMILESCCCCC(CNC)C(=O)N[C@H](C(=O)OC1CCCC1)C(C)(C)C
InChIInChI=1S/C19H36N2O3/c1-6-7-10-14(13-20-5)17(22)21-16(19(2,3)4)18(23)24-15-11-8-9-12-15/h14-16,20H,6-13H2,1-5H3,(H,21,22)/t14?,16-/m1/s1
InChIKeyBKTXELYWJACXJK-BZSJEYESSA-N
MW340.51 g/mol
LogP3.03
Rot. Bonds9

About cyclopentyl (2S)-3,3-dimethyl-2-[[(2R)-2-(methylaminomethyl)hexanoyl]amino]butanoate

cyclopentyl (2S)-3,3-dimethyl-2-[[(2R)-2-(methylaminomethyl)hexanoyl]amino]butanoate (PubChem CID 59087264) has the molecular formula C19H36N2O3 and a molecular weight of 340.51 g/mol. Its IUPAC name is cyclopentyl (2S)-3,3-dimethyl-2-[[(2R)-2-(methylaminomethyl)hexanoyl]amino]butanoate.

Molecular Properties

Compound Namecyclopentyl (2S)-3,3-dimethyl-2-[[(2R)-2-(methylaminomethyl)hexanoyl]amino]butanoate
PubChem CID59087264
Molecular FormulaC19H36N2O3
Molecular Weight340.51 g/mol
Exact Mass340.27
IUPAC Namecyclopentyl (2S)-3,3-dimethyl-2-[[(2R)-2-(methylaminomethyl)hexanoyl]amino]butanoate
SMILESCCCCC(CNC)C(=O)N[C@H](C(=O)OC1CCCC1)C(C)(C)C
InChIInChI=1S/C19H36N2O3/c1-6-7-10-14(13-20-5)17(22)21-16(19(2,3)4)18(23)24-15-11-8-9-12-15/h14-16,20H,6-13H2,1-5H3,(H,21,22)/t14?,16-/m1/s1
InChIKeyBKTXELYWJACXJK-BZSJEYESSA-N
XLogP3.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[[(2R)-2-[[(2S)-1-cyclopentyloxy-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]hexyl]amino] benzoate
CID 142000333
3-cyclohexyloxycarbonylheptanoic acid
CID 175582119
cyclopropyl 2-hexyldecanoate
CID 174570245
methyl 2-[(cyclopentylamino)methyl]hexanoate
CID 174575795
2-(2-aminohexanoylamino)-3,3-dimethylbutanoic acid
CID 61161199
cyclopentyl 2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-phenylacetate
CID 59918989
(2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-octylbutanediamide
CID 10474389
cyclopentyl 2-aminopentanoate
CID 61278203
cyclohexyl 2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]hexanoate
CID 70587590
cyclohexyl carbonate;tetrabutylphosphanium
CID 66627330
2-(cyclopentylmethyl)-N-methylhexanamide
CID 70921101
N-(2-amino-1-cyclohexylethyl)-2-ethylhexanamide
CID 81486044

Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2S)-3,3-dimethyl-2-[[(2R)-2-(methylaminomethyl)hexanoyl]amino]butanoate?
The IUPAC name of cyclopentyl (2S)-3,3-dimethyl-2-[[(2R)-2-(methylaminomethyl)hexanoyl]amino]butanoate (CID 59087264) is cyclopentyl (2S)-3,3-dimethyl-2-[[(2R)-2-(methylaminomethyl)hexanoyl]amino]butanoate.
What is the SMILES notation for cyclopentyl (2S)-3,3-dimethyl-2-[[(2R)-2-(methylaminomethyl)hexanoyl]amino]butanoate?
The canonical SMILES for cyclopentyl (2S)-3,3-dimethyl-2-[[(2R)-2-(methylaminomethyl)hexanoyl]amino]butanoate is CCCCC(CNC)C(=O)N[C@H](C(=O)OC1CCCC1)C(C)(C)C.
What is the InChIKey of cyclopentyl (2S)-3,3-dimethyl-2-[[(2R)-2-(methylaminomethyl)hexanoyl]amino]butanoate?
The InChIKey is BKTXELYWJACXJK-BZSJEYESSA-N. The full InChI is InChI=1S/C19H36N2O3/c1-6-7-10-14(13-20-5)17(22)21-16(19(2,3)4)18(23)24-15-11-8-9-12-15/h14-16,20H,6-13H2,1-5H3,(H,21,22)/t14?,16-/m1/s1.
What are the key properties of cyclopentyl (2S)-3,3-dimethyl-2-[[(2R)-2-(methylaminomethyl)hexanoyl]amino]butanoate?
cyclopentyl (2S)-3,3-dimethyl-2-[[(2R)-2-(methylaminomethyl)hexanoyl]amino]butanoate has a molecular weight of 340.51 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (2S)-3,3-dimethyl-2-[[(2R)-2-(methylaminomethyl)hexanoyl]amino]butanoate is sourced from PubChem (CID 59087264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).