N-(2,3-dihydroxypropyl)-5-hydroxypentanamide

C8H17NO4 — CID 79208714

IUPACN-(2,3-dihydroxypropyl)-5-hydroxypentanamide
SMILESO=C(CCCCO)NCC(O)CO
InChIInChI=1S/C8H17NO4/c10-4-2-1-3-8(13)9-5-7(12)6-11/h7,10-12H,1-6H2,(H,9,13)
InChIKeyNAMRGGDUJUNEDU-UHFFFAOYSA-N
MW191.23 g/mol
LogP-1.38
Rot. Bonds7

About N-(2,3-dihydroxypropyl)-5-hydroxypentanamide

N-(2,3-dihydroxypropyl)-5-hydroxypentanamide (PubChem CID 79208714) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-5-hydroxypentanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-5-hydroxypentanamide
PubChem CID79208714
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC NameN-(2,3-dihydroxypropyl)-5-hydroxypentanamide
SMILESO=C(CCCCO)NCC(O)CO
InChIInChI=1S/C8H17NO4/c10-4-2-1-3-8(13)9-5-7(12)6-11/h7,10-12H,1-6H2,(H,9,13)
InChIKeyNAMRGGDUJUNEDU-UHFFFAOYSA-N
XLogP-1.38
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

20-hydroxy-N-[2-hydroxy-3-(20-hydroxyicosanoylamino)propyl]icosanamide
CID 87382092
5-chloro-N-(2,3-dihydroxypropyl)pentanamide
CID 66168263
N-(2,3-dihydroxypropyl)-4-(methylamino)butanamide
CID 66168913
N-(2,3-dihydroxypropyl)butanamide
CID 20700885
(Z)-N-(2,3-dihydroxypropyl)docos-13-enamide
CID 53321377
N-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide
CID 106288862
3-acetamido-N-(2,3-dihydroxypropyl)propanamide
CID 66177308
N-(2,3-dihydroxypropyl)-4-phenylbutanamide
CID 66177076
N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 88953699
N-(2,3-dihydroxypropyl)-4-phenoxybutanamide
CID 66176649
N-(2,3-dihydroxypropyl)hexadecanamide;(2-hydroxy-1-phosphonoethyl)-trimethylazanium
CID 88687437
N-[2-hydroxy-3-(undec-10-enoylamino)propyl]undec-10-enamide
CID 156612713

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-5-hydroxypentanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-5-hydroxypentanamide (CID 79208714) is N-(2,3-dihydroxypropyl)-5-hydroxypentanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-5-hydroxypentanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-5-hydroxypentanamide is O=C(CCCCO)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-5-hydroxypentanamide?
The InChIKey is NAMRGGDUJUNEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c10-4-2-1-3-8(13)9-5-7(12)6-11/h7,10-12H,1-6H2,(H,9,13).
What are the key properties of N-(2,3-dihydroxypropyl)-5-hydroxypentanamide?
N-(2,3-dihydroxypropyl)-5-hydroxypentanamide has a molecular weight of 191.23 g/mol, XLogP of -1.38, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-5-hydroxypentanamide is sourced from PubChem (CID 79208714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).