2,3,4,5-tetrahydroxy-N-pentan-2-ylpentanamide

C10H21NO5 — CID 130321877

IUPAC2,3,4,5-tetrahydroxy-N-pentan-2-ylpentanamide
SMILESCCCC(C)NC(=O)C(O)C(O)C(O)CO
InChIInChI=1S/C10H21NO5/c1-3-4-6(2)11-10(16)9(15)8(14)7(13)5-12/h6-9,12-15H,3-5H2,1-2H3,(H,11,16)
InChIKeyYQALQTXCOFVWMR-UHFFFAOYSA-N
MW235.28 g/mol
LogP-1.63
Rot. Bonds7

About 2,3,4,5-tetrahydroxy-N-pentan-2-ylpentanamide

2,3,4,5-tetrahydroxy-N-pentan-2-ylpentanamide (PubChem CID 130321877) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2,3,4,5-tetrahydroxy-N-pentan-2-ylpentanamide.

Molecular Properties

Compound Name2,3,4,5-tetrahydroxy-N-pentan-2-ylpentanamide
PubChem CID130321877
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Name2,3,4,5-tetrahydroxy-N-pentan-2-ylpentanamide
SMILESCCCC(C)NC(=O)C(O)C(O)C(O)CO
InChIInChI=1S/C10H21NO5/c1-3-4-6(2)11-10(16)9(15)8(14)7(13)5-12/h6-9,12-15H,3-5H2,1-2H3,(H,11,16)
InChIKeyYQALQTXCOFVWMR-UHFFFAOYSA-N
XLogP-1.63
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-1.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,4R,5R)-N-[(2S)-butan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide
CID 92974319
(2R,3R,4R)-N-ethyl-2,3,4,5-tetrahydroxypentanamide
CID 91224788
(2S)-2-(2,3,4,5,6-pentahydroxyhexanoylamino)propanoic acid
CID 56969147
(2R,3S,4S)-1,2,3,4,6-pentahydroxynonan-5-one
CID 141070842
(2R,3S,4S)-2,3,4,5-tetrahydroxy-N-octylpentanamide
CID 175982166
(2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide
CID 124819757
N,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide
CID 21340416
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-propanoylhexanamide
CID 18658603
(2S)-3-methyl-2-[[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]butanoic acid
CID 7909378
(2S)-3-methyl-2-(2,3,4,5,6-pentahydroxyhexanoylamino)butanoic acid
CID 51056110
2-bromo-N-pentan-2-ylpropanamide
CID 81222887
(3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
CID 138650369

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydroxy-N-pentan-2-ylpentanamide?
The IUPAC name of 2,3,4,5-tetrahydroxy-N-pentan-2-ylpentanamide (CID 130321877) is 2,3,4,5-tetrahydroxy-N-pentan-2-ylpentanamide.
What is the SMILES notation for 2,3,4,5-tetrahydroxy-N-pentan-2-ylpentanamide?
The canonical SMILES for 2,3,4,5-tetrahydroxy-N-pentan-2-ylpentanamide is CCCC(C)NC(=O)C(O)C(O)C(O)CO.
What is the InChIKey of 2,3,4,5-tetrahydroxy-N-pentan-2-ylpentanamide?
The InChIKey is YQALQTXCOFVWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5/c1-3-4-6(2)11-10(16)9(15)8(14)7(13)5-12/h6-9,12-15H,3-5H2,1-2H3,(H,11,16).
What are the key properties of 2,3,4,5-tetrahydroxy-N-pentan-2-ylpentanamide?
2,3,4,5-tetrahydroxy-N-pentan-2-ylpentanamide has a molecular weight of 235.28 g/mol, XLogP of -1.63, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydroxy-N-pentan-2-ylpentanamide is sourced from PubChem (CID 130321877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).