N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-methylhexyl]propanamide

C10H21NO5 — CID 129051393

IUPACN-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-methylhexyl]propanamide
SMILESCCC(=O)NC[C@H](C)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H21NO5/c1-3-8(14)11-4-6(2)9(15)10(16)7(13)5-12/h6-7,9-10,12-13,15-16H,3-5H2,1-2H3,(H,11,14)/t6-,7+,9+,10+/m0/s1
InChIKeyLXCVJXIOKQERKJ-MVHNUAHISA-N
MW235.28 g/mol
LogP-1.78
Rot. Bonds7

About N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-methylhexyl]propanamide

N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-methylhexyl]propanamide (PubChem CID 129051393) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-methylhexyl]propanamide.

Molecular Properties

Compound NameN-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-methylhexyl]propanamide
PubChem CID129051393
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC NameN-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-methylhexyl]propanamide
SMILESCCC(=O)NC[C@H](C)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H21NO5/c1-3-8(14)11-4-6(2)9(15)10(16)7(13)5-12/h6-7,9-10,12-13,15-16H,3-5H2,1-2H3,(H,11,14)/t6-,7+,9+,10+/m0/s1
InChIKeyLXCVJXIOKQERKJ-MVHNUAHISA-N
XLogP-1.78
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 ≤ 5-1.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-methylhexyl]propanamide?
The IUPAC name of N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-methylhexyl]propanamide (CID 129051393) is N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-methylhexyl]propanamide.
What is the SMILES notation for N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-methylhexyl]propanamide?
The canonical SMILES for N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-methylhexyl]propanamide is CCC(=O)NC[C@H](C)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-methylhexyl]propanamide?
The InChIKey is LXCVJXIOKQERKJ-MVHNUAHISA-N. The full InChI is InChI=1S/C10H21NO5/c1-3-8(14)11-4-6(2)9(15)10(16)7(13)5-12/h6-7,9-10,12-13,15-16H,3-5H2,1-2H3,(H,11,14)/t6-,7+,9+,10+/m0/s1.
What are the key properties of N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-methylhexyl]propanamide?
N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-methylhexyl]propanamide has a molecular weight of 235.28 g/mol, XLogP of -1.78, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-methylhexyl]propanamide is sourced from PubChem (CID 129051393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).