2,4-dihydroxy-3-(hydroxymethyl)-N-(3-hydroxypropyl)-3-methylbutanamide

C9H19NO5 — CID 54521307

IUPAC2,4-dihydroxy-3-(hydroxymethyl)-N-(3-hydroxypropyl)-3-methylbutanamide
SMILESCC(CO)(CO)C(O)C(=O)NCCCO
InChIInChI=1S/C9H19NO5/c1-9(5-12,6-13)7(14)8(15)10-3-2-4-11/h7,11-14H,2-6H2,1H3,(H,10,15)
InChIKeyYQAOIFAAYHVALH-UHFFFAOYSA-N
MW221.25 g/mol
LogP-2.16
Rot. Bonds7

About 2,4-dihydroxy-3-(hydroxymethyl)-N-(3-hydroxypropyl)-3-methylbutanamide

2,4-dihydroxy-3-(hydroxymethyl)-N-(3-hydroxypropyl)-3-methylbutanamide (PubChem CID 54521307) has the molecular formula C9H19NO5 and a molecular weight of 221.25 g/mol. Its IUPAC name is 2,4-dihydroxy-3-(hydroxymethyl)-N-(3-hydroxypropyl)-3-methylbutanamide.

Molecular Properties

Compound Name2,4-dihydroxy-3-(hydroxymethyl)-N-(3-hydroxypropyl)-3-methylbutanamide
PubChem CID54521307
Molecular FormulaC9H19NO5
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC Name2,4-dihydroxy-3-(hydroxymethyl)-N-(3-hydroxypropyl)-3-methylbutanamide
SMILESCC(CO)(CO)C(O)C(=O)NCCCO
InChIInChI=1S/C9H19NO5/c1-9(5-12,6-13)7(14)8(15)10-3-2-4-11/h7,11-14H,2-6H2,1H3,(H,10,15)
InChIKeyYQAOIFAAYHVALH-UHFFFAOYSA-N
XLogP-2.16
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 5-2.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide;ethoxyethane
CID 87265025
2,4-dihydroxy-N-[3-(3-hydroxypropylamino)-3-oxopropyl]-3,3-dimethylbutanamide
CID 74426646
2,3,4-trihydroxy-3-methyl-N-tetradecylbutanamide
CID 19829240
ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide
CID 144592534
2,4-dihydroxy-N-(3-hydroxypropyl)-2,3-dimethyl-3-methylbutanamide
CID 123949193
4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide
CID 176553127
tert-butyl N-[(2S)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]carbamate
CID 87458449
(2R)-N-[3-[3-(dimethylamino)propylamino]-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 90682464
N-(3,3-dihydroxypropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 142091533
N-[1-(4-hydroxybutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 106843633
(2R)-N-(3-dimethylsilyl-3-hydroxypropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 154344563
2-cyclopropyl-N-(3-hydroxypropyl)propanamide
CID 81449535

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-3-(hydroxymethyl)-N-(3-hydroxypropyl)-3-methylbutanamide?
The IUPAC name of 2,4-dihydroxy-3-(hydroxymethyl)-N-(3-hydroxypropyl)-3-methylbutanamide (CID 54521307) is 2,4-dihydroxy-3-(hydroxymethyl)-N-(3-hydroxypropyl)-3-methylbutanamide.
What is the SMILES notation for 2,4-dihydroxy-3-(hydroxymethyl)-N-(3-hydroxypropyl)-3-methylbutanamide?
The canonical SMILES for 2,4-dihydroxy-3-(hydroxymethyl)-N-(3-hydroxypropyl)-3-methylbutanamide is CC(CO)(CO)C(O)C(=O)NCCCO.
What is the InChIKey of 2,4-dihydroxy-3-(hydroxymethyl)-N-(3-hydroxypropyl)-3-methylbutanamide?
The InChIKey is YQAOIFAAYHVALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5/c1-9(5-12,6-13)7(14)8(15)10-3-2-4-11/h7,11-14H,2-6H2,1H3,(H,10,15).
What are the key properties of 2,4-dihydroxy-3-(hydroxymethyl)-N-(3-hydroxypropyl)-3-methylbutanamide?
2,4-dihydroxy-3-(hydroxymethyl)-N-(3-hydroxypropyl)-3-methylbutanamide has a molecular weight of 221.25 g/mol, XLogP of -2.16, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-3-(hydroxymethyl)-N-(3-hydroxypropyl)-3-methylbutanamide is sourced from PubChem (CID 54521307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).