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

C12H24N2O10 — CID 54556382

IUPAC(2R,3R)-N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydroxybutanediamide
SMILESO=C(NC(CO)(CO)CO)[C@H](O)[C@@H](O)C(=O)NC(CO)(CO)CO
InChIInChI=1S/C12H24N2O10/c15-1-11(2-16,3-17)13-9(23)7(21)8(22)10(24)14-12(4-18,5-19)6-20/h7-8,15-22H,1-6H2,(H,13,23)(H,14,24)/t7-,8-/m1/s1
InChIKeyZNLODXNMEPMODS-HTQZYQBOSA-N
MW356.33 g/mol
LogP-6.63
Rot. Bonds11

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

(2R,3R)-N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydroxybutanediamide (PubChem CID 54556382) has the molecular formula C12H24N2O10 and a molecular weight of 356.33 g/mol. Its IUPAC name is (2R,3R)-N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydroxybutanediamide.

Molecular Properties

Compound Name(2R,3R)-N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydroxybutanediamide
PubChem CID54556382
Molecular FormulaC12H24N2O10
Molecular Weight356.33 g/mol
Exact Mass356.14
IUPAC Name(2R,3R)-N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydroxybutanediamide
SMILESO=C(NC(CO)(CO)CO)[C@H](O)[C@@H](O)C(=O)NC(CO)(CO)CO
InChIInChI=1S/C12H24N2O10/c15-1-11(2-16,3-17)13-9(23)7(21)8(22)10(24)14-12(4-18,5-19)6-20/h7-8,15-22H,1-6H2,(H,13,23)(H,14,24)/t7-,8-/m1/s1
InChIKeyZNLODXNMEPMODS-HTQZYQBOSA-N
XLogP-6.63
TPSA220.04 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.33
LogP ≤ 5-6.63
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

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Related Compounds

2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide
CID 107852750
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
CID 107852753
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethyl-2-propan-2-ylpentanamide
CID 118545041
2-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 107865103
2-bromo-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 107906051
2-(azetidin-3-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
CID 107852972
2,3-dihydroxy-N,N'-bis(hydroxymethyl)butanediamide
CID 5088002
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide
CID 103891013
2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide
CID 62856180
2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
CID 107847321
(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide
CID 103929829
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenylpropanamide
CID 107852996

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydroxybutanediamide?
The IUPAC name of (2R,3R)-N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydroxybutanediamide (CID 54556382) is (2R,3R)-N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydroxybutanediamide.
What is the SMILES notation for (2R,3R)-N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydroxybutanediamide?
The canonical SMILES for (2R,3R)-N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydroxybutanediamide is O=C(NC(CO)(CO)CO)[C@H](O)[C@@H](O)C(=O)NC(CO)(CO)CO.
What is the InChIKey of (2R,3R)-N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydroxybutanediamide?
The InChIKey is ZNLODXNMEPMODS-HTQZYQBOSA-N. The full InChI is InChI=1S/C12H24N2O10/c15-1-11(2-16,3-17)13-9(23)7(21)8(22)10(24)14-12(4-18,5-19)6-20/h7-8,15-22H,1-6H2,(H,13,23)(H,14,24)/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydroxybutanediamide?
(2R,3R)-N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydroxybutanediamide has a molecular weight of 356.33 g/mol, XLogP of -6.63, 11 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydroxybutanediamide is sourced from PubChem (CID 54556382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).