N-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide

C8H15NO4 — CID 92534288

IUPACN-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
SMILESCC(=O)N[C@@H]1C[C@@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H15NO4/c1-4(11)9-6-2-5(3-10)7(12)8(6)13/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)/t5-,6+,7+,8+/m0/s1
InChIKeyKJFMWZCEHSQWQV-LXGUWJNJSA-N
MW189.21 g/mol
LogP-1.77
Rot. Bonds2

About N-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide

N-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide (PubChem CID 92534288) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
PubChem CID92534288
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC NameN-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
SMILESCC(=O)N[C@@H]1C[C@@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H15NO4/c1-4(11)9-6-2-5(3-10)7(12)8(6)13/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)/t5-,6+,7+,8+/m0/s1
InChIKeyKJFMWZCEHSQWQV-LXGUWJNJSA-N
XLogP-1.77
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide
CID 21304144
N-[(1S,2R,3S,4R,6S)-2,3,6-trihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide
CID 101009658
4-(hydroxymethyl)-6-(methylamino)cyclohexane-1,2,3-triol
CID 59945574
N-[(2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[[(1R,2S,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino]oxan-3-yl]acetamide
CID 10363208
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron
CID 155817620
[(1R,2R,3R,4S)-2-bromo-3-hydroxy-4-(hydroxymethyl)cyclopentyl]carbamic acid
CID 68909262
N-(5-acetamido-2-bicyclo[2.2.1]heptanyl)acetamide
CID 67204731
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 166350644
N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide
CID 101213894
benzyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]carbamate
CID 58570898
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,2-dimethyl-6-oxopyridine-4-carboxamide
CID 166368260
N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane
CID 155732259

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide?
The IUPAC name of N-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide (CID 92534288) is N-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide.
What is the SMILES notation for N-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide?
The canonical SMILES for N-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide is CC(=O)N[C@@H]1C[C@@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide?
The InChIKey is KJFMWZCEHSQWQV-LXGUWJNJSA-N. The full InChI is InChI=1S/C8H15NO4/c1-4(11)9-6-2-5(3-10)7(12)8(6)13/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)/t5-,6+,7+,8+/m0/s1.
What are the key properties of N-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide?
N-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide has a molecular weight of 189.21 g/mol, XLogP of -1.77, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide is sourced from PubChem (CID 92534288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).