N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbutanamide

C9H19NO4 — CID 18709921

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC(CO)(CO)CO
InChIInChI=1S/C9H19NO4/c1-3-7(2)8(14)10-9(4-11,5-12)6-13/h7,11-13H,3-6H2,1-2H3,(H,10,14)
InChIKeyHDOXEWYSCBPASJ-UHFFFAOYSA-N
MW205.25 g/mol
LogP-1.14
Rot. Bonds6

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbutanamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbutanamide (PubChem CID 18709921) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbutanamide
PubChem CID18709921
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC(CO)(CO)CO
InChIInChI=1S/C9H19NO4/c1-3-7(2)8(14)10-9(4-11,5-12)6-13/h7,11-13H,3-6H2,1-2H3,(H,10,14)
InChIKeyHDOXEWYSCBPASJ-UHFFFAOYSA-N
XLogP-1.14
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbutanamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbutanamide (CID 18709921) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbutanamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbutanamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbutanamide is CCC(C)C(=O)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbutanamide?
The InChIKey is HDOXEWYSCBPASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-3-7(2)8(14)10-9(4-11,5-12)6-13/h7,11-13H,3-6H2,1-2H3,(H,10,14).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbutanamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbutanamide has a molecular weight of 205.25 g/mol, XLogP of -1.14, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbutanamide is sourced from PubChem (CID 18709921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).