N-[[(1R,2R,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]methyl]acetamide

C9H17NO3 — CID 58543420

IUPACN-[[(1R,2R,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]methyl]acetamide
SMILESCC(=O)NC[C@H]1C[C@H](C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H17NO3/c1-5-3-7(4-10-6(2)11)9(13)8(5)12/h5,7-9,12-13H,3-4H2,1-2H3,(H,10,11)/t5-,7+,8+,9+/m0/s1
InChIKeyFZFOSKQLYIWGNT-KDBVAPGDSA-N
MW187.24 g/mol
LogP-0.50
Rot. Bonds2

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

N-[[(1R,2R,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]methyl]acetamide (PubChem CID 58543420) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[[(1R,2R,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(1R,2R,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]methyl]acetamide
PubChem CID58543420
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-[[(1R,2R,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]methyl]acetamide
SMILESCC(=O)NC[C@H]1C[C@H](C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H17NO3/c1-5-3-7(4-10-6(2)11)9(13)8(5)12/h5,7-9,12-13H,3-4H2,1-2H3,(H,10,11)/t5-,7+,8+,9+/m0/s1
InChIKeyFZFOSKQLYIWGNT-KDBVAPGDSA-N
XLogP-0.50
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,3-dihydroxycyclopentanecarboxamide
CID 23103472
N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]acetamide
CID 100990326
N-[[(1R,2R,3R,4R)-4-(acetamidomethyl)-2,3-dihydroxycyclopentyl]methyl]acetamide
CID 58543399
N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]pentanamide
CID 58543400
N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 58543401
N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide
CID 58543404
N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]methyl]acetamide
CID 58543408
N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(methylaminomethyl)cyclopentyl]methyl]acetamide
CID 58543409
N-[[(1R,2R,3R,4S)-4-ethyl-2,3-dihydroxycyclopentyl]methyl]acetamide
CID 58543411
N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 58543412
N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]hexanamide
CID 58543416
N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-2-hydroxyacetamide
CID 58543418

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]methyl]acetamide?
The IUPAC name of N-[[(1R,2R,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]methyl]acetamide (CID 58543420) is N-[[(1R,2R,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]methyl]acetamide.
What is the SMILES notation for N-[[(1R,2R,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]methyl]acetamide?
The canonical SMILES for N-[[(1R,2R,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]methyl]acetamide is CC(=O)NC[C@H]1C[C@H](C)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[[(1R,2R,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]methyl]acetamide?
The InChIKey is FZFOSKQLYIWGNT-KDBVAPGDSA-N. The full InChI is InChI=1S/C9H17NO3/c1-5-3-7(4-10-6(2)11)9(13)8(5)12/h5,7-9,12-13H,3-4H2,1-2H3,(H,10,11)/t5-,7+,8+,9+/m0/s1.
What are the key properties of N-[[(1R,2R,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]methyl]acetamide?
N-[[(1R,2R,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]methyl]acetamide has a molecular weight of 187.24 g/mol, XLogP of -0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,3R,4S)-2,3-dihydroxy-4-methylcyclopentyl]methyl]acetamide is sourced from PubChem (CID 58543420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).