N-[2-[(3S)-3,4,5-trihydroxy-2-methyloxan-3-yl]ethyl]acetamide

C10H19NO5 — CID 134582219

IUPACN-[2-[(3S)-3,4,5-trihydroxy-2-methyloxan-3-yl]ethyl]acetamide
SMILESCC(=O)NCC[C@@]1(O)C(C)OCC(O)C1O
InChIInChI=1S/C10H19NO5/c1-6-10(15,3-4-11-7(2)12)9(14)8(13)5-16-6/h6,8-9,13-15H,3-5H2,1-2H3,(H,11,12)/t6?,8?,9?,10-/m1/s1
InChIKeySJZJKPDHPUCXCD-NEEVAGLGSA-N
MW233.26 g/mol
LogP-1.62
Rot. Bonds3

About N-[2-[(3S)-3,4,5-trihydroxy-2-methyloxan-3-yl]ethyl]acetamide

N-[2-[(3S)-3,4,5-trihydroxy-2-methyloxan-3-yl]ethyl]acetamide (PubChem CID 134582219) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is N-[2-[(3S)-3,4,5-trihydroxy-2-methyloxan-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3S)-3,4,5-trihydroxy-2-methyloxan-3-yl]ethyl]acetamide
PubChem CID134582219
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC NameN-[2-[(3S)-3,4,5-trihydroxy-2-methyloxan-3-yl]ethyl]acetamide
SMILESCC(=O)NCC[C@@]1(O)C(C)OCC(O)C1O
InChIInChI=1S/C10H19NO5/c1-6-10(15,3-4-11-7(2)12)9(14)8(13)5-16-6/h6,8-9,13-15H,3-5H2,1-2H3,(H,11,12)/t6?,8?,9?,10-/m1/s1
InChIKeySJZJKPDHPUCXCD-NEEVAGLGSA-N
XLogP-1.62
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3,4,5-trihydroxy-2-methyloxan-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[(3S)-3,4,5-trihydroxy-2-methyloxan-3-yl]ethyl]acetamide (CID 134582219) is N-[2-[(3S)-3,4,5-trihydroxy-2-methyloxan-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3S)-3,4,5-trihydroxy-2-methyloxan-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[(3S)-3,4,5-trihydroxy-2-methyloxan-3-yl]ethyl]acetamide is CC(=O)NCC[C@@]1(O)C(C)OCC(O)C1O.
What is the InChIKey of N-[2-[(3S)-3,4,5-trihydroxy-2-methyloxan-3-yl]ethyl]acetamide?
The InChIKey is SJZJKPDHPUCXCD-NEEVAGLGSA-N. The full InChI is InChI=1S/C10H19NO5/c1-6-10(15,3-4-11-7(2)12)9(14)8(13)5-16-6/h6,8-9,13-15H,3-5H2,1-2H3,(H,11,12)/t6?,8?,9?,10-/m1/s1.
What are the key properties of N-[2-[(3S)-3,4,5-trihydroxy-2-methyloxan-3-yl]ethyl]acetamide?
N-[2-[(3S)-3,4,5-trihydroxy-2-methyloxan-3-yl]ethyl]acetamide has a molecular weight of 233.26 g/mol, XLogP of -1.62, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3,4,5-trihydroxy-2-methyloxan-3-yl]ethyl]acetamide is sourced from PubChem (CID 134582219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).