(2S)-3-(propan-2-ylamino)propane-1,2-diol

C6H15NO2 — CID 7019748

IUPAC(2S)-3-(propan-2-ylamino)propane-1,2-diol
SMILESCC(C)NC[C@H](O)CO
InChIInChI=1S/C6H15NO2/c1-5(2)7-3-6(9)4-8/h5-9H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyYKBZGEJJKPNRSI-LURJTMIESA-N
MW133.19 g/mol
LogP-0.66
Rot. Bonds4

About (2S)-3-(propan-2-ylamino)propane-1,2-diol

(2S)-3-(propan-2-ylamino)propane-1,2-diol (PubChem CID 7019748) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is (2S)-3-(propan-2-ylamino)propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-(propan-2-ylamino)propane-1,2-diol
PubChem CID7019748
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name(2S)-3-(propan-2-ylamino)propane-1,2-diol
SMILESCC(C)NC[C@H](O)CO
InChIInChI=1S/C6H15NO2/c1-5(2)7-3-6(9)4-8/h5-9H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyYKBZGEJJKPNRSI-LURJTMIESA-N
XLogP-0.66
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-hydroxypropan-2-ylamino)propane-1,2-diol
CID 76891482
(2S)-3-(butan-2-ylamino)propane-1,2-diol
CID 61149708
(2S)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]propane-1,2-diol
CID 104865645
(2R)-1-chloro-3-(propan-2-ylamino)propan-2-ol
CID 12624614
3-(2-methylpentan-3-ylamino)propane-1,2-diol
CID 66177145
2-methyl-3-(propan-2-ylamino)propan-1-ol
CID 20806708
2-[(propan-2-ylamino)methyl]propane-1,3-diol
CID 162784969
3-(1-cyclopentylethylamino)propane-1,2-diol
CID 66177375
2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide
CID 66169110
1-(propan-2-ylamino)pentan-2-ol
CID 20554634
(3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid
CID 134164837
1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 172990455

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(propan-2-ylamino)propane-1,2-diol?
The IUPAC name of (2S)-3-(propan-2-ylamino)propane-1,2-diol (CID 7019748) is (2S)-3-(propan-2-ylamino)propane-1,2-diol.
What is the SMILES notation for (2S)-3-(propan-2-ylamino)propane-1,2-diol?
The canonical SMILES for (2S)-3-(propan-2-ylamino)propane-1,2-diol is CC(C)NC[C@H](O)CO.
What is the InChIKey of (2S)-3-(propan-2-ylamino)propane-1,2-diol?
The InChIKey is YKBZGEJJKPNRSI-LURJTMIESA-N. The full InChI is InChI=1S/C6H15NO2/c1-5(2)7-3-6(9)4-8/h5-9H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-3-(propan-2-ylamino)propane-1,2-diol?
(2S)-3-(propan-2-ylamino)propane-1,2-diol has a molecular weight of 133.19 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(propan-2-ylamino)propane-1,2-diol is sourced from PubChem (CID 7019748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).