(2S)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]propane-1,2-diol

C8H19NO3 — CID 104865645

IUPAC(2S)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]propane-1,2-diol
SMILESCC(CO)C(C)NC[C@H](O)CO
InChIInChI=1S/C8H19NO3/c1-6(4-10)7(2)9-3-8(12)5-11/h6-12H,3-5H2,1-2H3/t6?,7?,8-/m0/s1
InChIKeyPIGOQYCSJGTPQB-RRQHEKLDSA-N
MW177.24 g/mol
LogP-1.05
Rot. Bonds6

About (2S)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]propane-1,2-diol

(2S)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]propane-1,2-diol (PubChem CID 104865645) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is (2S)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]propane-1,2-diol
PubChem CID104865645
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name(2S)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]propane-1,2-diol
SMILESCC(CO)C(C)NC[C@H](O)CO
InChIInChI=1S/C8H19NO3/c1-6(4-10)7(2)9-3-8(12)5-11/h6-12H,3-5H2,1-2H3/t6?,7?,8-/m0/s1
InChIKeyPIGOQYCSJGTPQB-RRQHEKLDSA-N
XLogP-1.05
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(propan-2-ylamino)propane-1,2-diol
CID 7019748
3-(1-hydroxypropan-2-ylamino)propane-1,2-diol
CID 76891482
(2S)-3-(butan-2-ylamino)propane-1,2-diol
CID 61149708
3-(2-methylpentan-3-ylamino)propane-1,2-diol
CID 66177145
(2S)-2-(2,3-dihydroxypropylamino)-3-methylbutanoic acid
CID 54486502
(2R)-3-(1-hydroxybutylamino)propane-1,2-diol
CID 156656657
3-(1-cyclopentylethylamino)propane-1,2-diol
CID 66177375
2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide
CID 66169110
(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
CID 93482173
(2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol
CID 65036137
3-[1-[1-(2,3-dihydroxypropylamino)propyl-methylamino]propylamino]propane-1,2-diol
CID 19347617
1-(1-hydroxypropan-2-ylamino)butan-2-ol
CID 60885826

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]propane-1,2-diol?
The IUPAC name of (2S)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]propane-1,2-diol (CID 104865645) is (2S)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]propane-1,2-diol?
The canonical SMILES for (2S)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]propane-1,2-diol is CC(CO)C(C)NC[C@H](O)CO.
What is the InChIKey of (2S)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]propane-1,2-diol?
The InChIKey is PIGOQYCSJGTPQB-RRQHEKLDSA-N. The full InChI is InChI=1S/C8H19NO3/c1-6(4-10)7(2)9-3-8(12)5-11/h6-12H,3-5H2,1-2H3/t6?,7?,8-/m0/s1.
What are the key properties of (2S)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]propane-1,2-diol?
(2S)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]propane-1,2-diol has a molecular weight of 177.24 g/mol, XLogP of -1.05, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]propane-1,2-diol is sourced from PubChem (CID 104865645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).