2-methylbutane-2,3-diamine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide

C11H27N3O6 — CID 87948999

IUPAC2-methylbutane-2,3-diamine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide
SMILESCC(N)C(C)(C)N.NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H13NO6.C5H14N2/c7-6(13)5(12)4(11)3(10)2(9)1-8;1-4(6)5(2,3)7/h2-5,8-12H,1H2,(H2,7,13);4H,6-7H2,1-3H3/t2-,3-,4+,5-;/m1./s1
InChIKeyTVTBRGZHPCSBRX-JJKGCWMISA-N
MW297.35 g/mol
LogP-4.02
Rot. Bonds6

About 2-methylbutane-2,3-diamine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide

2-methylbutane-2,3-diamine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide (PubChem CID 87948999) has the molecular formula C11H27N3O6 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-methylbutane-2,3-diamine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide.

Molecular Properties

Compound Name2-methylbutane-2,3-diamine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide
PubChem CID87948999
Molecular FormulaC11H27N3O6
Molecular Weight297.35 g/mol
Exact Mass297.19
IUPAC Name2-methylbutane-2,3-diamine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide
SMILESCC(N)C(C)(C)N.NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H13NO6.C5H14N2/c7-6(13)5(12)4(11)3(10)2(9)1-8;1-4(6)5(2,3)7/h2-5,8-12H,1H2,(H2,7,13);4H,6-7H2,1-3H3/t2-,3-,4+,5-;/m1./s1
InChIKeyTVTBRGZHPCSBRX-JJKGCWMISA-N
XLogP-4.02
TPSA196.28 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.35
LogP ≤ 5-4.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 2-methylbutane-2,3-diamine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide with MolForge

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Related Compounds

2,3,4,5,6-pentahydroxyhexanamide;sulfuric acid
CID 174474944
3,4,5,6,7-pentahydroxy-2-oxoheptanamide
CID 174921304
nitric acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide
CID 175089243
(2S,3S,4R,5R)-N-deuterio-2,3,4,5,6-pentahydroxyhexanamide
CID 141062864
(4R,5S,6R)-4,5,6,7,8-pentahydroxy-2,2-dimethyloctan-3-one
CID 89221826
2-aminopropanoic acid;hexane-1,2,3,4,5,6-hexol
CID 174331247
(4R,5R,6S,7R,8R)-4,5,6,7,8,9-hexahydroxy-2,2-dimethylnonan-3-one
CID 58201993
2-oxopentanedioic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide
CID 175889338
(4R,5S,6S,7R)-4,5,6,7,8-pentahydroxy-2-methyloctan-3-one
CID 139765414
(4R,5S,6R,7R)-2,4,5,6,7,8-hexahydroxyoctan-3-one
CID 174187958
dihydroxy-methyl-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]oxyphosphanium
CID 87367328
(3S,4R,5S,6S)-3,4,5,6,7-pentahydroxyheptan-2-one
CID 122415477

Frequently Asked Questions

What is the IUPAC name of 2-methylbutane-2,3-diamine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide?
The IUPAC name of 2-methylbutane-2,3-diamine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide (CID 87948999) is 2-methylbutane-2,3-diamine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide.
What is the SMILES notation for 2-methylbutane-2,3-diamine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide?
The canonical SMILES for 2-methylbutane-2,3-diamine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide is CC(N)C(C)(C)N.NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of 2-methylbutane-2,3-diamine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide?
The InChIKey is TVTBRGZHPCSBRX-JJKGCWMISA-N. The full InChI is InChI=1S/C6H13NO6.C5H14N2/c7-6(13)5(12)4(11)3(10)2(9)1-8;1-4(6)5(2,3)7/h2-5,8-12H,1H2,(H2,7,13);4H,6-7H2,1-3H3/t2-,3-,4+,5-;/m1./s1.
What are the key properties of 2-methylbutane-2,3-diamine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide?
2-methylbutane-2,3-diamine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide has a molecular weight of 297.35 g/mol, XLogP of -4.02, 6 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane-2,3-diamine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide is sourced from PubChem (CID 87948999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).