N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide

C8H17NO3 — CID 87638559

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
SMILESCCC(=O)NC(CC)(CO)CO
InChIInChI=1S/C8H17NO3/c1-3-7(12)9-8(4-2,5-10)6-11/h10-11H,3-6H2,1-2H3,(H,9,12)
InChIKeyNSAFFMANMNCZCA-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.35
Rot. Bonds5

About N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide (PubChem CID 87638559) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
PubChem CID87638559
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
SMILESCCC(=O)NC(CC)(CO)CO
InChIInChI=1S/C8H17NO3/c1-3-7(12)9-8(4-2,5-10)6-11/h10-11H,3-6H2,1-2H3,(H,9,12)
InChIKeyNSAFFMANMNCZCA-UHFFFAOYSA-N
XLogP-0.35
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide (CID 87638559) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide is CCC(=O)NC(CC)(CO)CO.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide?
The InChIKey is NSAFFMANMNCZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-3-7(12)9-8(4-2,5-10)6-11/h10-11H,3-6H2,1-2H3,(H,9,12).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide has a molecular weight of 175.23 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide is sourced from PubChem (CID 87638559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).