N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanediamide

C12H24N2O8 — CID 19706262

IUPACN,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanediamide
SMILESO=C(CCC(=O)NC(CO)(CO)CO)NC(CO)(CO)CO
InChIInChI=1S/C12H24N2O8/c15-3-11(4-16,5-17)13-9(21)1-2-10(22)14-12(6-18,7-19)8-20/h15-20H,1-8H2,(H,13,21)(H,14,22)
InChIKeySWYSMEQBTWZQOX-UHFFFAOYSA-N
MW324.33 g/mol
LogP-4.57
Rot. Bonds11

About N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanediamide

N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanediamide (PubChem CID 19706262) has the molecular formula C12H24N2O8 and a molecular weight of 324.33 g/mol. Its IUPAC name is N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanediamide.

Molecular Properties

Compound NameN,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanediamide
PubChem CID19706262
Molecular FormulaC12H24N2O8
Molecular Weight324.33 g/mol
Exact Mass324.15
IUPAC NameN,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanediamide
SMILESO=C(CCC(=O)NC(CO)(CO)CO)NC(CO)(CO)CO
InChIInChI=1S/C12H24N2O8/c15-3-11(4-16,5-17)13-9(21)1-2-10(22)14-12(6-18,7-19)8-20/h15-20H,1-8H2,(H,13,21)(H,14,22)
InChIKeySWYSMEQBTWZQOX-UHFFFAOYSA-N
XLogP-4.57
TPSA179.58 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.33
LogP ≤ 5-4.57
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanediamide?
The IUPAC name of N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanediamide (CID 19706262) is N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanediamide.
What is the SMILES notation for N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanediamide?
The canonical SMILES for N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanediamide is O=C(CCC(=O)NC(CO)(CO)CO)NC(CO)(CO)CO.
What is the InChIKey of N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanediamide?
The InChIKey is SWYSMEQBTWZQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O8/c15-3-11(4-16,5-17)13-9(21)1-2-10(22)14-12(6-18,7-19)8-20/h15-20H,1-8H2,(H,13,21)(H,14,22).
What are the key properties of N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanediamide?
N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanediamide has a molecular weight of 324.33 g/mol, XLogP of -4.57, 11 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanediamide is sourced from PubChem (CID 19706262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).