N-[2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide

C9H17NO4 — CID 21304144

IUPACN-[2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(CO)C(O)C1O
InChIInChI=1S/C9H17NO4/c1-5(12)10-7-3-2-6(4-11)8(13)9(7)14/h6-9,11,13-14H,2-4H2,1H3,(H,10,12)
InChIKeyYWVMGAPPPHGAOT-UHFFFAOYSA-N
MW203.24 g/mol
LogP-1.38
Rot. Bonds2

About N-[2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide

N-[2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide (PubChem CID 21304144) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-[2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide
PubChem CID21304144
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC NameN-[2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(CO)C(O)C1O
InChIInChI=1S/C9H17NO4/c1-5(12)10-7-3-2-6(4-11)8(13)9(7)14/h6-9,11,13-14H,2-4H2,1H3,(H,10,12)
InChIKeyYWVMGAPPPHGAOT-UHFFFAOYSA-N
XLogP-1.38
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 92534288
N-[(1S,2R,3S,4R,6S)-2,3,6-trihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide
CID 101009658
2-[(1S,2S)-2-acetamidocyclobutyl]acetic acid
CID 178194580
N-[(2S,3R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 131207372
N-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide
CID 101197936
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron
CID 155817620
N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane
CID 155732259
N-[(3R)-1-tert-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
CID 174082941
(1R,2R,3R,4S)-4-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 6102431
N-(5-acetamido-2-bicyclo[2.2.1]heptanyl)acetamide
CID 67204731
N-(2-ethylcyclopentyl)acetamide
CID 130891213
N-[(1S,2R)-2-ethylcyclohexyl]acetamide
CID 162400753

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide (CID 21304144) is N-[2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide is CC(=O)NC1CCC(CO)C(O)C1O.
What is the InChIKey of N-[2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide?
The InChIKey is YWVMGAPPPHGAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-5(12)10-7-3-2-6(4-11)8(13)9(7)14/h6-9,11,13-14H,2-4H2,1H3,(H,10,12).
What are the key properties of N-[2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide?
N-[2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide has a molecular weight of 203.24 g/mol, XLogP of -1.38, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide is sourced from PubChem (CID 21304144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).