(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-N'-propan-2-ylhexanediamide

C13H26N2O6 — CID 130268305

IUPAC(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-N'-propan-2-ylhexanediamide
SMILESCC(C)NC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)NC(C)(C)C
InChIInChI=1S/C13H26N2O6/c1-6(2)14-11(20)9(18)7(16)8(17)10(19)12(21)15-13(3,4)5/h6-10,16-19H,1-5H3,(H,14,20)(H,15,21)/t7-,8+,9+,10-/m1/s1
InChIKeyWJNQBLWVABECJQ-XFWSIPNHSA-N
MW306.36 g/mol
LogP-2.13
Rot. Bonds6

About (2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-N'-propan-2-ylhexanediamide

(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-N'-propan-2-ylhexanediamide (PubChem CID 130268305) has the molecular formula C13H26N2O6 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-N'-propan-2-ylhexanediamide.

Molecular Properties

Compound Name(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-N'-propan-2-ylhexanediamide
PubChem CID130268305
Molecular FormulaC13H26N2O6
Molecular Weight306.36 g/mol
Exact Mass306.18
IUPAC Name(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-N'-propan-2-ylhexanediamide
SMILESCC(C)NC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)NC(C)(C)C
InChIInChI=1S/C13H26N2O6/c1-6(2)14-11(20)9(18)7(16)8(17)10(19)12(21)15-13(3,4)5/h6-10,16-19H,1-5H3,(H,14,20)(H,15,21)/t7-,8+,9+,10-/m1/s1
InChIKeyWJNQBLWVABECJQ-XFWSIPNHSA-N
XLogP-2.13
TPSA139.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.36
LogP ≤ 5-2.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-N'-propan-2-ylhexanediamide with MolForge

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Related Compounds

2-(tert-butylcarbamoylamino)-N-propan-2-ylpropanamide
CID 116657668
(2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide
CID 89095447
N-tert-butyl-2-methylpropanamide;ethane
CID 143588307
N-tert-butyl-2-(propan-2-ylamino)propanamide
CID 43086719
N-tert-butyl-2-fluoropropanamide
CID 167699160
2-hydroxy-3-methyl-N-propan-2-ylpentanamide
CID 59882624
N-tert-butyl-3-hydroxy-2-(2-methylpropanoylamino)butanamide
CID 164772716
(2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide
CID 164800238
N-tert-butyl-2-chloro-3-methylbutanamide
CID 60693170
2,2,3-trimethyl-4-oxo-4-(propan-2-ylamino)butanoic acid
CID 58462322
N'-tert-butyl-N-propan-2-ylundecanediamide
CID 161329550
N-tert-butyl-2-[(2-chloroacetyl)amino]propanamide
CID 115879856

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-N'-propan-2-ylhexanediamide?
The IUPAC name of (2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-N'-propan-2-ylhexanediamide (CID 130268305) is (2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-N'-propan-2-ylhexanediamide.
What is the SMILES notation for (2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-N'-propan-2-ylhexanediamide?
The canonical SMILES for (2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-N'-propan-2-ylhexanediamide is CC(C)NC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)NC(C)(C)C.
What is the InChIKey of (2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-N'-propan-2-ylhexanediamide?
The InChIKey is WJNQBLWVABECJQ-XFWSIPNHSA-N. The full InChI is InChI=1S/C13H26N2O6/c1-6(2)14-11(20)9(18)7(16)8(17)10(19)12(21)15-13(3,4)5/h6-10,16-19H,1-5H3,(H,14,20)(H,15,21)/t7-,8+,9+,10-/m1/s1.
What are the key properties of (2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-N'-propan-2-ylhexanediamide?
(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-N'-propan-2-ylhexanediamide has a molecular weight of 306.36 g/mol, XLogP of -2.13, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-N'-propan-2-ylhexanediamide is sourced from PubChem (CID 130268305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).