4-hydroxy-3-(hydroxymethyl)-2-methylbutanamide

C6H13NO3 — CID 19026845

IUPAC4-hydroxy-3-(hydroxymethyl)-2-methylbutanamide
SMILESCC(C(N)=O)C(CO)CO
InChIInChI=1S/C6H13NO3/c1-4(6(7)10)5(2-8)3-9/h4-5,8-9H,2-3H2,1H3,(H2,7,10)
InChIKeyKNCSIGHFZSMJQF-UHFFFAOYSA-N
MW147.17 g/mol
LogP-1.29
Rot. Bonds4

About 4-hydroxy-3-(hydroxymethyl)-2-methylbutanamide

4-hydroxy-3-(hydroxymethyl)-2-methylbutanamide (PubChem CID 19026845) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 4-hydroxy-3-(hydroxymethyl)-2-methylbutanamide.

Molecular Properties

Compound Name4-hydroxy-3-(hydroxymethyl)-2-methylbutanamide
PubChem CID19026845
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name4-hydroxy-3-(hydroxymethyl)-2-methylbutanamide
SMILESCC(C(N)=O)C(CO)CO
InChIInChI=1S/C6H13NO3/c1-4(6(7)10)5(2-8)3-9/h4-5,8-9H,2-3H2,1H3,(H2,7,10)
InChIKeyKNCSIGHFZSMJQF-UHFFFAOYSA-N
XLogP-1.29
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(hydroxymethyl)-2-methylbutanamide?
The IUPAC name of 4-hydroxy-3-(hydroxymethyl)-2-methylbutanamide (CID 19026845) is 4-hydroxy-3-(hydroxymethyl)-2-methylbutanamide.
What is the SMILES notation for 4-hydroxy-3-(hydroxymethyl)-2-methylbutanamide?
The canonical SMILES for 4-hydroxy-3-(hydroxymethyl)-2-methylbutanamide is CC(C(N)=O)C(CO)CO.
What is the InChIKey of 4-hydroxy-3-(hydroxymethyl)-2-methylbutanamide?
The InChIKey is KNCSIGHFZSMJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4(6(7)10)5(2-8)3-9/h4-5,8-9H,2-3H2,1H3,(H2,7,10).
What are the key properties of 4-hydroxy-3-(hydroxymethyl)-2-methylbutanamide?
4-hydroxy-3-(hydroxymethyl)-2-methylbutanamide has a molecular weight of 147.17 g/mol, XLogP of -1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(hydroxymethyl)-2-methylbutanamide is sourced from PubChem (CID 19026845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).