(4S)-4-amino-6-methyl-1-morpholin-4-ylheptane-2,3-diol

C12H26N2O3 — CID 57254551

IUPAC(4S)-4-amino-6-methyl-1-morpholin-4-ylheptane-2,3-diol
SMILESCC(C)C[C@H](N)C(O)C(O)CN1CCOCC1
InChIInChI=1S/C12H26N2O3/c1-9(2)7-10(13)12(16)11(15)8-14-3-5-17-6-4-14/h9-12,15-16H,3-8,13H2,1-2H3/t10-,11?,12?/m0/s1
InChIKeyKEBXFMXZUSCIEQ-UNXYVOJBSA-N
MW246.35 g/mol
LogP-0.59
Rot. Bonds6

About (4S)-4-amino-6-methyl-1-morpholin-4-ylheptane-2,3-diol

(4S)-4-amino-6-methyl-1-morpholin-4-ylheptane-2,3-diol (PubChem CID 57254551) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is (4S)-4-amino-6-methyl-1-morpholin-4-ylheptane-2,3-diol.

Molecular Properties

Compound Name(4S)-4-amino-6-methyl-1-morpholin-4-ylheptane-2,3-diol
PubChem CID57254551
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name(4S)-4-amino-6-methyl-1-morpholin-4-ylheptane-2,3-diol
SMILESCC(C)C[C@H](N)C(O)C(O)CN1CCOCC1
InChIInChI=1S/C12H26N2O3/c1-9(2)7-10(13)12(16)11(15)8-14-3-5-17-6-4-14/h9-12,15-16H,3-8,13H2,1-2H3/t10-,11?,12?/m0/s1
InChIKeyKEBXFMXZUSCIEQ-UNXYVOJBSA-N
XLogP-0.59
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4S,5R)-2-propan-2-ylpiperidin-1-ium-3,4,5-triol
CID 72199695
(2S,3R,4S,5R)-2-(1-methylethyl)piperidine-3,4,5-triol
CID 44475963
(2S,3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol
CID 11033464
3,7,11-Trimethyl-1-(3-morpholin-4-ylpropylamino)dodecane-2,3-diol
CID 13933164
2-Methyl-4-(methylamino)-6-propan-2-yloxan-3-ol
CID 20702697
4-Amino-5-cyclohexyl-1-(dimethylamino)pentane-2,3-diol
CID 21571523
4-Amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride
CID 22418882
(2RS,3R,4S)-4-amino-5-cyclohexyl-1-morpholino-2,3-pentanediol dihydrochloride
CID 22844599
(3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol
CID 22844600
(2RS,3RS,4S)-4-amino-5-cyclohexyl-1-(2-methoxyethylamino)-2,3-pentanediol
CID 22844604
(2RS,3RS,4S)-4-amino-5-cyclohexyl-1-(4-methylpiperidino)-2,3-pentanediol
CID 22844605
(2RS,3RS,4S)-4-amino-5-cyclohexyl-1-diethylamino-2,3-pentanediol
CID 22844606

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-6-methyl-1-morpholin-4-ylheptane-2,3-diol?
The IUPAC name of (4S)-4-amino-6-methyl-1-morpholin-4-ylheptane-2,3-diol (CID 57254551) is (4S)-4-amino-6-methyl-1-morpholin-4-ylheptane-2,3-diol.
What is the SMILES notation for (4S)-4-amino-6-methyl-1-morpholin-4-ylheptane-2,3-diol?
The canonical SMILES for (4S)-4-amino-6-methyl-1-morpholin-4-ylheptane-2,3-diol is CC(C)C[C@H](N)C(O)C(O)CN1CCOCC1.
What is the InChIKey of (4S)-4-amino-6-methyl-1-morpholin-4-ylheptane-2,3-diol?
The InChIKey is KEBXFMXZUSCIEQ-UNXYVOJBSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-9(2)7-10(13)12(16)11(15)8-14-3-5-17-6-4-14/h9-12,15-16H,3-8,13H2,1-2H3/t10-,11?,12?/m0/s1.
What are the key properties of (4S)-4-amino-6-methyl-1-morpholin-4-ylheptane-2,3-diol?
(4S)-4-amino-6-methyl-1-morpholin-4-ylheptane-2,3-diol has a molecular weight of 246.35 g/mol, XLogP of -0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-6-methyl-1-morpholin-4-ylheptane-2,3-diol is sourced from PubChem (CID 57254551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).