(2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol

C9H21NO3 — CID 79249235

IUPAC(2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol
SMILESCOCC(O)CN[C@H](CO)C(C)C
InChIInChI=1S/C9H21NO3/c1-7(2)9(5-11)10-4-8(12)6-13-3/h7-12H,4-6H2,1-3H3/t8?,9-/m1/s1
InChIKeyVRYWKQYNTNCCNN-YGPZHTELSA-N
MW191.27 g/mol
LogP-0.40
Rot. Bonds7

About (2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol

(2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol (PubChem CID 79249235) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol
PubChem CID79249235
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name(2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol
SMILESCOCC(O)CN[C@H](CO)C(C)C
InChIInChI=1S/C9H21NO3/c1-7(2)9(5-11)10-4-8(12)6-13-3/h7-12H,4-6H2,1-3H3/t8?,9-/m1/s1
InChIKeyVRYWKQYNTNCCNN-YGPZHTELSA-N
XLogP-0.40
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutan-1-ol
CID 79250118
(2S)-2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-methylbutan-1-ol
CID 79250156
2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
CID 106932287
1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol
CID 115719382
3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid
CID 103254061
(2S)-2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-3-methylbutan-1-ol
CID 79249364
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-3-methylbutan-1-ol
CID 79250235
3-(2-methylpentan-3-ylamino)propane-1,2-diol
CID 66177145
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
CID 79249781
1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989627
4-[2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]propoxy]benzonitrile
CID 79248869
2-(4-methoxybutylamino)-3-methylbutan-1-ol
CID 104647484

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol (CID 79249235) is (2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol is COCC(O)CN[C@H](CO)C(C)C.
What is the InChIKey of (2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol?
The InChIKey is VRYWKQYNTNCCNN-YGPZHTELSA-N. The full InChI is InChI=1S/C9H21NO3/c1-7(2)9(5-11)10-4-8(12)6-13-3/h7-12H,4-6H2,1-3H3/t8?,9-/m1/s1.
What are the key properties of (2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol?
(2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol has a molecular weight of 191.27 g/mol, XLogP of -0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 79249235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).