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

C9H17NO4 — CID 58543401

IUPACN-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]acetamide
SMILESCC(=O)NC[C@H]1C[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H17NO4/c1-5(12)10-3-6-2-7(4-11)9(14)8(6)13/h6-9,11,13-14H,2-4H2,1H3,(H,10,12)/t6-,7-,8-,9-/m1/s1
InChIKeyQFPPCAUJIYLABX-FNCVBFRFSA-N
MW203.24 g/mol
LogP-1.53
Rot. Bonds3

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

N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]acetamide (PubChem CID 58543401) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]acetamide
PubChem CID58543401
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC NameN-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]acetamide
SMILESCC(=O)NC[C@H]1C[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H17NO4/c1-5(12)10-3-6-2-7(4-11)9(14)8(6)13/h6-9,11,13-14H,2-4H2,1H3,(H,10,12)/t6-,7-,8-,9-/m1/s1
InChIKeyQFPPCAUJIYLABX-FNCVBFRFSA-N
XLogP-1.53
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]acetamide?
The IUPAC name of N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]acetamide (CID 58543401) is N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]acetamide.
What is the SMILES notation for N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]acetamide?
The canonical SMILES for N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]acetamide is CC(=O)NC[C@H]1C[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]acetamide?
The InChIKey is QFPPCAUJIYLABX-FNCVBFRFSA-N. The full InChI is InChI=1S/C9H17NO4/c1-5(12)10-3-6-2-7(4-11)9(14)8(6)13/h6-9,11,13-14H,2-4H2,1H3,(H,10,12)/t6-,7-,8-,9-/m1/s1.
What are the key properties of N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]acetamide?
N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]acetamide has a molecular weight of 203.24 g/mol, XLogP of -1.53, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]acetamide is sourced from PubChem (CID 58543401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).