2,3-dihydroxy-N',N'-dipropylbutanediamide

C10H20N2O4 — CID 54509098

IUPAC2,3-dihydroxy-N',N'-dipropylbutanediamide
SMILESCCCN(CCC)C(=O)C(O)C(O)C(N)=O
InChIInChI=1S/C10H20N2O4/c1-3-5-12(6-4-2)10(16)8(14)7(13)9(11)15/h7-8,13-14H,3-6H2,1-2H3,(H2,11,15)
InChIKeyYHVKGEXOMBVJFM-UHFFFAOYSA-N
MW232.28 g/mol
LogP-1.16
Rot. Bonds7

About 2,3-dihydroxy-N',N'-dipropylbutanediamide

2,3-dihydroxy-N',N'-dipropylbutanediamide (PubChem CID 54509098) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2,3-dihydroxy-N',N'-dipropylbutanediamide.

Molecular Properties

Compound Name2,3-dihydroxy-N',N'-dipropylbutanediamide
PubChem CID54509098
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2,3-dihydroxy-N',N'-dipropylbutanediamide
SMILESCCCN(CCC)C(=O)C(O)C(O)C(N)=O
InChIInChI=1S/C10H20N2O4/c1-3-5-12(6-4-2)10(16)8(14)7(13)9(11)15/h7-8,13-14H,3-6H2,1-2H3,(H2,11,15)
InChIKeyYHVKGEXOMBVJFM-UHFFFAOYSA-N
XLogP-1.16
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N',N'-dipropylbutanediamide?
The IUPAC name of 2,3-dihydroxy-N',N'-dipropylbutanediamide (CID 54509098) is 2,3-dihydroxy-N',N'-dipropylbutanediamide.
What is the SMILES notation for 2,3-dihydroxy-N',N'-dipropylbutanediamide?
The canonical SMILES for 2,3-dihydroxy-N',N'-dipropylbutanediamide is CCCN(CCC)C(=O)C(O)C(O)C(N)=O.
What is the InChIKey of 2,3-dihydroxy-N',N'-dipropylbutanediamide?
The InChIKey is YHVKGEXOMBVJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-3-5-12(6-4-2)10(16)8(14)7(13)9(11)15/h7-8,13-14H,3-6H2,1-2H3,(H2,11,15).
What are the key properties of 2,3-dihydroxy-N',N'-dipropylbutanediamide?
2,3-dihydroxy-N',N'-dipropylbutanediamide has a molecular weight of 232.28 g/mol, XLogP of -1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N',N'-dipropylbutanediamide is sourced from PubChem (CID 54509098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).