N-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide

C8H15NO3 — CID 101197936

IUPACN-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1CCC[C@H](O)[C@H]1O
InChIInChI=1S/C8H15NO3/c1-5(10)9-6-3-2-4-7(11)8(6)12/h6-8,11-12H,2-4H2,1H3,(H,9,10)/t6-,7+,8+/m1/s1
InChIKeyBTDLLJGRGRQELA-CSMHCCOUSA-N
MW173.21 g/mol
LogP-0.60
Rot. Bonds1

About N-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide

N-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide (PubChem CID 101197936) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide
PubChem CID101197936
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1CCC[C@H](O)[C@H]1O
InChIInChI=1S/C8H15NO3/c1-5(10)9-6-3-2-4-7(11)8(6)12/h6-8,11-12H,2-4H2,1H3,(H,9,10)/t6-,7+,8+/m1/s1
InChIKeyBTDLLJGRGRQELA-CSMHCCOUSA-N
XLogP-0.60
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-2-hydroxycyclopentyl]acetamide
CID 14988808
N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride
CID 172759321
N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide
CID 21439703
N-[(1S,2S)-2-iodocyclopentyl]acetamide
CID 138652376
N-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]acetamide
CID 130909390
2-cyclopentyl-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide
CID 110125825
N-(2-ethylcyclopentyl)acetamide
CID 130891213
N-[(2R)-2-chlorocyclohexyl]acetamide
CID 18526491
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide
CID 58396031
N-(2-hydroxycyclopentyl)-3-oxobutanamide
CID 127002121
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 110125439

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide?
The IUPAC name of N-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide (CID 101197936) is N-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide.
What is the SMILES notation for N-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide?
The canonical SMILES for N-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide is CC(=O)N[C@@H]1CCC[C@H](O)[C@H]1O.
What is the InChIKey of N-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide?
The InChIKey is BTDLLJGRGRQELA-CSMHCCOUSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5(10)9-6-3-2-4-7(11)8(6)12/h6-8,11-12H,2-4H2,1H3,(H,9,10)/t6-,7+,8+/m1/s1.
What are the key properties of N-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide?
N-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide has a molecular weight of 173.21 g/mol, XLogP of -0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide is sourced from PubChem (CID 101197936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).