(2S,3R,4S,5R)-1-(methylamino)heptane-2,3,4,5-tetrol

C8H19NO4 — CID 158104696

IUPAC(2S,3R,4S,5R)-1-(methylamino)heptane-2,3,4,5-tetrol
SMILESCC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CNC
InChIInChI=1S/C8H19NO4/c1-3-5(10)7(12)8(13)6(11)4-9-2/h5-13H,3-4H2,1-2H3/t5-,6+,7+,8-/m1/s1
InChIKeyLQXJIUAAOBELIW-VGRMVHKJSA-N
MW193.24 g/mol
LogP-1.94
Rot. Bonds6

About (2S,3R,4S,5R)-1-(methylamino)heptane-2,3,4,5-tetrol

(2S,3R,4S,5R)-1-(methylamino)heptane-2,3,4,5-tetrol (PubChem CID 158104696) has the molecular formula C8H19NO4 and a molecular weight of 193.24 g/mol. Its IUPAC name is (2S,3R,4S,5R)-1-(methylamino)heptane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-1-(methylamino)heptane-2,3,4,5-tetrol
PubChem CID158104696
Molecular FormulaC8H19NO4
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(2S,3R,4S,5R)-1-(methylamino)heptane-2,3,4,5-tetrol
SMILESCC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CNC
InChIInChI=1S/C8H19NO4/c1-3-5(10)7(12)8(13)6(11)4-9-2/h5-13H,3-4H2,1-2H3/t5-,6+,7+,8-/m1/s1
InChIKeyLQXJIUAAOBELIW-VGRMVHKJSA-N
XLogP-1.94
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 5-1.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4S,5R)-1-(methylamino)heptane-2,3,4,5-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4R,5R)-1-(methylamino)heptane-2,3,4,5-tetrol
CID 158104697
(2R,3S,4S,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 12598089
(2R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 89253185
(2S,3S)-1,4-bis(methylamino)butane-2,3-diol
CID 100939749
hydrazine;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 161070671
calcium;hydride;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 173199422
azane;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;hydrate
CID 172742927
(2R,3S,4R)-5-(methylamino)pentane-1,2,3,4-tetrol
CID 59973525
1-(methylamino)dodecane-2,3,4,5,6-pentol
CID 140845274
carbonodithioic S,S-acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 158653369
2,3,4,5,6,11,12,13,14,15-decahydroxy-1,16-bis(methylamino)hexadecane-7,10-dione
CID 142663246
heptane-1,2,3,4,5-pentol
CID 21365644

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-1-(methylamino)heptane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4S,5R)-1-(methylamino)heptane-2,3,4,5-tetrol (CID 158104696) is (2S,3R,4S,5R)-1-(methylamino)heptane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4S,5R)-1-(methylamino)heptane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4S,5R)-1-(methylamino)heptane-2,3,4,5-tetrol is CC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CNC.
What is the InChIKey of (2S,3R,4S,5R)-1-(methylamino)heptane-2,3,4,5-tetrol?
The InChIKey is LQXJIUAAOBELIW-VGRMVHKJSA-N. The full InChI is InChI=1S/C8H19NO4/c1-3-5(10)7(12)8(13)6(11)4-9-2/h5-13H,3-4H2,1-2H3/t5-,6+,7+,8-/m1/s1.
What are the key properties of (2S,3R,4S,5R)-1-(methylamino)heptane-2,3,4,5-tetrol?
(2S,3R,4S,5R)-1-(methylamino)heptane-2,3,4,5-tetrol has a molecular weight of 193.24 g/mol, XLogP of -1.94, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-1-(methylamino)heptane-2,3,4,5-tetrol is sourced from PubChem (CID 158104696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).