2-hydroxy-N-(2-hydroxyethyl)-3-(3-methylbutan-2-ylamino)propanamide

C10H22N2O3 — CID 134458590

IUPAC2-hydroxy-N-(2-hydroxyethyl)-3-(3-methylbutan-2-ylamino)propanamide
SMILESCC(C)C(C)NCC(O)C(=O)NCCO
InChIInChI=1S/C10H22N2O3/c1-7(2)8(3)12-6-9(14)10(15)11-4-5-13/h7-9,12-14H,4-6H2,1-3H3,(H,11,15)
InChIKeyOVWXOHCSNHJXAU-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.91
Rot. Bonds7

About 2-hydroxy-N-(2-hydroxyethyl)-3-(3-methylbutan-2-ylamino)propanamide

2-hydroxy-N-(2-hydroxyethyl)-3-(3-methylbutan-2-ylamino)propanamide (PubChem CID 134458590) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxyethyl)-3-(3-methylbutan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxyethyl)-3-(3-methylbutan-2-ylamino)propanamide
PubChem CID134458590
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name2-hydroxy-N-(2-hydroxyethyl)-3-(3-methylbutan-2-ylamino)propanamide
SMILESCC(C)C(C)NCC(O)C(=O)NCCO
InChIInChI=1S/C10H22N2O3/c1-7(2)8(3)12-6-9(14)10(15)11-4-5-13/h7-9,12-14H,4-6H2,1-3H3,(H,11,15)
InChIKeyOVWXOHCSNHJXAU-UHFFFAOYSA-N
XLogP-0.91
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-3-(3-methylbutan-2-ylamino)propanamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-3-(3-methylbutan-2-ylamino)propanamide (CID 134458590) is 2-hydroxy-N-(2-hydroxyethyl)-3-(3-methylbutan-2-ylamino)propanamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxyethyl)-3-(3-methylbutan-2-ylamino)propanamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxyethyl)-3-(3-methylbutan-2-ylamino)propanamide is CC(C)C(C)NCC(O)C(=O)NCCO.
What is the InChIKey of 2-hydroxy-N-(2-hydroxyethyl)-3-(3-methylbutan-2-ylamino)propanamide?
The InChIKey is OVWXOHCSNHJXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-7(2)8(3)12-6-9(14)10(15)11-4-5-13/h7-9,12-14H,4-6H2,1-3H3,(H,11,15).
What are the key properties of 2-hydroxy-N-(2-hydroxyethyl)-3-(3-methylbutan-2-ylamino)propanamide?
2-hydroxy-N-(2-hydroxyethyl)-3-(3-methylbutan-2-ylamino)propanamide has a molecular weight of 218.30 g/mol, XLogP of -0.91, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxyethyl)-3-(3-methylbutan-2-ylamino)propanamide is sourced from PubChem (CID 134458590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).