3-(2,3-dihydroxypropylamino)-3-methylbutanamide

C8H18N2O3 — CID 19101545

IUPAC3-(2,3-dihydroxypropylamino)-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NCC(O)CO
InChIInChI=1S/C8H18N2O3/c1-8(2,3-7(9)13)10-4-6(12)5-11/h6,10-12H,3-5H2,1-2H3,(H2,9,13)
InChIKeyHGKDOLDBAREKRC-UHFFFAOYSA-N
MW190.24 g/mol
LogP-1.42
Rot. Bonds6

About 3-(2,3-dihydroxypropylamino)-3-methylbutanamide

3-(2,3-dihydroxypropylamino)-3-methylbutanamide (PubChem CID 19101545) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropylamino)-3-methylbutanamide.

Molecular Properties

Compound Name3-(2,3-dihydroxypropylamino)-3-methylbutanamide
PubChem CID19101545
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name3-(2,3-dihydroxypropylamino)-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NCC(O)CO
InChIInChI=1S/C8H18N2O3/c1-8(2,3-7(9)13)10-4-6(12)5-11/h6,10-12H,3-5H2,1-2H3,(H2,9,13)
InChIKeyHGKDOLDBAREKRC-UHFFFAOYSA-N
XLogP-1.42
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropylamino)-3-methylbutanamide?
The IUPAC name of 3-(2,3-dihydroxypropylamino)-3-methylbutanamide (CID 19101545) is 3-(2,3-dihydroxypropylamino)-3-methylbutanamide.
What is the SMILES notation for 3-(2,3-dihydroxypropylamino)-3-methylbutanamide?
The canonical SMILES for 3-(2,3-dihydroxypropylamino)-3-methylbutanamide is CC(C)(CC(N)=O)NCC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropylamino)-3-methylbutanamide?
The InChIKey is HGKDOLDBAREKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-8(2,3-7(9)13)10-4-6(12)5-11/h6,10-12H,3-5H2,1-2H3,(H2,9,13).
What are the key properties of 3-(2,3-dihydroxypropylamino)-3-methylbutanamide?
3-(2,3-dihydroxypropylamino)-3-methylbutanamide has a molecular weight of 190.24 g/mol, XLogP of -1.42, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropylamino)-3-methylbutanamide is sourced from PubChem (CID 19101545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).