N-(2,3-dihydroxypropyl)-3-methylbutanamide

C8H17NO3 — CID 58679304

IUPACN-(2,3-dihydroxypropyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(O)CO
InChIInChI=1S/C8H17NO3/c1-6(2)3-8(12)9-4-7(11)5-10/h6-7,10-11H,3-5H2,1-2H3,(H,9,12)
InChIKeyUBPOKANBCXCEMX-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.50
Rot. Bonds5

About N-(2,3-dihydroxypropyl)-3-methylbutanamide

N-(2,3-dihydroxypropyl)-3-methylbutanamide (PubChem CID 58679304) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-3-methylbutanamide
PubChem CID58679304
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC NameN-(2,3-dihydroxypropyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(O)CO
InChIInChI=1S/C8H17NO3/c1-6(2)3-8(12)9-4-7(11)5-10/h6-7,10-11H,3-5H2,1-2H3,(H,9,12)
InChIKeyUBPOKANBCXCEMX-UHFFFAOYSA-N
XLogP-0.50
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 ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-3-methylbutanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-3-methylbutanamide (CID 58679304) is N-(2,3-dihydroxypropyl)-3-methylbutanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-3-methylbutanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-3-methylbutanamide is CC(C)CC(=O)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-3-methylbutanamide?
The InChIKey is UBPOKANBCXCEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(2)3-8(12)9-4-7(11)5-10/h6-7,10-11H,3-5H2,1-2H3,(H,9,12).
What are the key properties of N-(2,3-dihydroxypropyl)-3-methylbutanamide?
N-(2,3-dihydroxypropyl)-3-methylbutanamide has a molecular weight of 175.23 g/mol, XLogP of -0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-3-methylbutanamide is sourced from PubChem (CID 58679304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).