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

C10H19NO4 — CID 58543412

IUPACN-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]propanamide
SMILESCCC(=O)NC[C@H]1C[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H19NO4/c1-2-8(13)11-4-6-3-7(5-12)10(15)9(6)14/h6-7,9-10,12,14-15H,2-5H2,1H3,(H,11,13)/t6-,7-,9-,10-/m1/s1
InChIKeyDPUGGLLRWKOBTM-KHUVANEUSA-N
MW217.26 g/mol
LogP-1.14
Rot. Bonds4

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

N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]propanamide (PubChem CID 58543412) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]propanamide
PubChem CID58543412
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC NameN-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]propanamide
SMILESCCC(=O)NC[C@H]1C[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H19NO4/c1-2-8(13)11-4-6-3-7(5-12)10(15)9(6)14/h6-7,9-10,12,14-15H,2-5H2,1H3,(H,11,13)/t6-,7-,9-,10-/m1/s1
InChIKeyDPUGGLLRWKOBTM-KHUVANEUSA-N
XLogP-1.14
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-1.14
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]propanamide?
The IUPAC name of N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]propanamide (CID 58543412) is N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]propanamide.
What is the SMILES notation for N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]propanamide?
The canonical SMILES for N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]propanamide is CCC(=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]propanamide?
The InChIKey is DPUGGLLRWKOBTM-KHUVANEUSA-N. The full InChI is InChI=1S/C10H19NO4/c1-2-8(13)11-4-6-3-7(5-12)10(15)9(6)14/h6-7,9-10,12,14-15H,2-5H2,1H3,(H,11,13)/t6-,7-,9-,10-/m1/s1.
What are the key properties of N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]propanamide?
N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]propanamide has a molecular weight of 217.26 g/mol, XLogP of -1.14, 4 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]propanamide is sourced from PubChem (CID 58543412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).