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

C12H23NO4 — CID 58543400

IUPACN-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]pentanamide
SMILESCCCCC(=O)NC[C@H]1C[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H23NO4/c1-2-3-4-10(15)13-6-8-5-9(7-14)12(17)11(8)16/h8-9,11-12,14,16-17H,2-7H2,1H3,(H,13,15)/t8-,9-,11-,12-/m1/s1
InChIKeyBYBYFLOKAZFIJP-CNVPUSNMSA-N
MW245.32 g/mol
LogP-0.36
Rot. Bonds6

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

N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]pentanamide (PubChem CID 58543400) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]pentanamide.

Molecular Properties

Compound NameN-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]pentanamide
PubChem CID58543400
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC NameN-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]pentanamide
SMILESCCCCC(=O)NC[C@H]1C[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H23NO4/c1-2-3-4-10(15)13-6-8-5-9(7-14)12(17)11(8)16/h8-9,11-12,14,16-17H,2-7H2,1H3,(H,13,15)/t8-,9-,11-,12-/m1/s1
InChIKeyBYBYFLOKAZFIJP-CNVPUSNMSA-N
XLogP-0.36
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.36
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]pentanamide?
The IUPAC name of N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]pentanamide (CID 58543400) is N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]pentanamide.
What is the SMILES notation for N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]pentanamide?
The canonical SMILES for N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]pentanamide is CCCCC(=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]pentanamide?
The InChIKey is BYBYFLOKAZFIJP-CNVPUSNMSA-N. The full InChI is InChI=1S/C12H23NO4/c1-2-3-4-10(15)13-6-8-5-9(7-14)12(17)11(8)16/h8-9,11-12,14,16-17H,2-7H2,1H3,(H,13,15)/t8-,9-,11-,12-/m1/s1.
What are the key properties of N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]pentanamide?
N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]pentanamide has a molecular weight of 245.32 g/mol, XLogP of -0.36, 6 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]pentanamide is sourced from PubChem (CID 58543400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).