(3R)-3-ethyl-4-oxo-N-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pentanamide

C12H23NO6 — CID 160566842

IUPAC(3R)-3-ethyl-4-oxo-N-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pentanamide
SMILESCC[C@H](CC(=O)NC[C@H](O)[C@@H](O)[C@H](O)CO)C(C)=O
InChIInChI=1S/C12H23NO6/c1-3-8(7(2)15)4-11(18)13-5-9(16)12(19)10(17)6-14/h8-10,12,14,16-17,19H,3-6H2,1-2H3,(H,13,18)/t8-,9+,10-,12-/m1/s1
InChIKeyGFUCLYQGHGPCAE-DTHBNOIPSA-N
MW277.32 g/mol
LogP-1.82
Rot. Bonds9

About (3R)-3-ethyl-4-oxo-N-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pentanamide

(3R)-3-ethyl-4-oxo-N-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pentanamide (PubChem CID 160566842) has the molecular formula C12H23NO6 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3R)-3-ethyl-4-oxo-N-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pentanamide.

Molecular Properties

Compound Name(3R)-3-ethyl-4-oxo-N-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pentanamide
PubChem CID160566842
Molecular FormulaC12H23NO6
Molecular Weight277.32 g/mol
Exact Mass277.15
IUPAC Name(3R)-3-ethyl-4-oxo-N-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pentanamide
SMILESCC[C@H](CC(=O)NC[C@H](O)[C@@H](O)[C@H](O)CO)C(C)=O
InChIInChI=1S/C12H23NO6/c1-3-8(7(2)15)4-11(18)13-5-9(16)12(19)10(17)6-14/h8-10,12,14,16-17,19H,3-6H2,1-2H3,(H,13,18)/t8-,9+,10-,12-/m1/s1
InChIKeyGFUCLYQGHGPCAE-DTHBNOIPSA-N
XLogP-1.82
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-1.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-ethyl-N-methyl-N'-[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyhexyl]butanediamide
CID 157255362
(2S)-N-methyl-2-(methylamino)-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanediamide
CID 59197821
N-methyl-2-(methylamino)-N'-(2,3,4,5,6-pentahydroxyhexyl)butanediamide
CID 59197838
5-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexanamide
CID 155426705
N,2-dimethyl-N'-(2,3,4,5-tetrahydroxypentyl)pentanediamide
CID 176836986
ethane;5-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide
CID 171849271
N-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 101193409
2-amino-4-oxo-4-[[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyheptyl]amino]butanoic acid
CID 157157013
N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]propanamide
CID 89219701
N-[2,3-dihydroxy-4-(hydroxymethyl)hexyl]acetamide
CID 123622831
4,4-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide
CID 155358754
(2S)-2-methyl-N-[(2R)-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]-N'-[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide
CID 91616464

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-4-oxo-N-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pentanamide?
The IUPAC name of (3R)-3-ethyl-4-oxo-N-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pentanamide (CID 160566842) is (3R)-3-ethyl-4-oxo-N-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pentanamide.
What is the SMILES notation for (3R)-3-ethyl-4-oxo-N-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pentanamide?
The canonical SMILES for (3R)-3-ethyl-4-oxo-N-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pentanamide is CC[C@H](CC(=O)NC[C@H](O)[C@@H](O)[C@H](O)CO)C(C)=O.
What is the InChIKey of (3R)-3-ethyl-4-oxo-N-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pentanamide?
The InChIKey is GFUCLYQGHGPCAE-DTHBNOIPSA-N. The full InChI is InChI=1S/C12H23NO6/c1-3-8(7(2)15)4-11(18)13-5-9(16)12(19)10(17)6-14/h8-10,12,14,16-17,19H,3-6H2,1-2H3,(H,13,18)/t8-,9+,10-,12-/m1/s1.
What are the key properties of (3R)-3-ethyl-4-oxo-N-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pentanamide?
(3R)-3-ethyl-4-oxo-N-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pentanamide has a molecular weight of 277.32 g/mol, XLogP of -1.82, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-4-oxo-N-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pentanamide is sourced from PubChem (CID 160566842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).