2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propane-1,3-diol

C9H19NO3 — CID 112634110

IUPAC2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propane-1,3-diol
SMILESCC1(C)C(O)CC1NC(CO)CO
InChIInChI=1S/C9H19NO3/c1-9(2)7(3-8(9)13)10-6(4-11)5-12/h6-8,10-13H,3-5H2,1-2H3
InChIKeyFZTGQADVQPYHCR-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.91
Rot. Bonds4

About 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propane-1,3-diol

2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propane-1,3-diol (PubChem CID 112634110) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propane-1,3-diol
PubChem CID112634110
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propane-1,3-diol
SMILESCC1(C)C(O)CC1NC(CO)CO
InChIInChI=1S/C9H19NO3/c1-9(2)7(3-8(9)13)10-6(4-11)5-12/h6-8,10-13H,3-5H2,1-2H3
InChIKeyFZTGQADVQPYHCR-UHFFFAOYSA-N
XLogP-0.91
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2R)-1-hydroxybutan-2-yl]amino]-2,2-dimethylcyclobutan-1-ol
CID 103952275
2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol
CID 112633394
3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633134
2,2-dimethyl-3-(4-methylsulfanylbutan-2-ylamino)cyclobutan-1-ol
CID 115976765
3-[4-(dimethylamino)butan-2-ylamino]-2,2-dimethylcyclobutan-1-ol
CID 112633910
3-(1-ethylsulfanylpropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 115977674
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide
CID 112633408
3-[[(1R)-1-cyclopentylethyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 103948487
4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]pentanoic acid
CID 114629226
methyl (2S)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanoate
CID 103948463
N-(3-hydroxy-2,2-dimethylcyclobutyl)propane-2-sulfonamide
CID 114631535

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propane-1,3-diol?
The IUPAC name of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propane-1,3-diol (CID 112634110) is 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propane-1,3-diol is CC1(C)C(O)CC1NC(CO)CO.
What is the InChIKey of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propane-1,3-diol?
The InChIKey is FZTGQADVQPYHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-9(2)7(3-8(9)13)10-6(4-11)5-12/h6-8,10-13H,3-5H2,1-2H3.
What are the key properties of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propane-1,3-diol?
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propane-1,3-diol has a molecular weight of 189.25 g/mol, XLogP of -0.91, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propane-1,3-diol is sourced from PubChem (CID 112634110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).