3-[[(2R)-1-hydroxybutan-2-yl]amino]-2,2-dimethylcyclobutan-1-ol

C10H21NO2 — CID 103952275

IUPAC3-[[(2R)-1-hydroxybutan-2-yl]amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC[C@H](CO)NC1CC(O)C1(C)C
InChIInChI=1S/C10H21NO2/c1-4-7(6-12)11-8-5-9(13)10(8,2)3/h7-9,11-13H,4-6H2,1-3H3/t7-,8?,9?/m1/s1
InChIKeyYOCRDLVCBAUTMQ-AFPNSQJFSA-N
MW187.28 g/mol
LogP0.51
Rot. Bonds4

About 3-[[(2R)-1-hydroxybutan-2-yl]amino]-2,2-dimethylcyclobutan-1-ol

3-[[(2R)-1-hydroxybutan-2-yl]amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 103952275) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-[[(2R)-1-hydroxybutan-2-yl]amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(2R)-1-hydroxybutan-2-yl]amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID103952275
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-[[(2R)-1-hydroxybutan-2-yl]amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC[C@H](CO)NC1CC(O)C1(C)C
InChIInChI=1S/C10H21NO2/c1-4-7(6-12)11-8-5-9(13)10(8,2)3/h7-9,11-13H,4-6H2,1-3H3/t7-,8?,9?/m1/s1
InChIKeyYOCRDLVCBAUTMQ-AFPNSQJFSA-N
XLogP0.51
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[(2R)-1-hydroxybutan-2-yl]amino]-2,2-dimethylcyclobutan-1-ol with MolForge

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Related Compounds

2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propane-1,3-diol
CID 112634110
3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633134
2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol
CID 112633394
N'-hydroxy-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]butanimidamide
CID 104940499
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
3-(1-ethylsulfanylpropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 115977674
3-[(2-hydroxy-3-methoxypropyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 112634064
N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylpropanamide
CID 103107048
(2S)-2-[[(1S,5R)-3,3,5-trimethylcyclohexyl]amino]butan-1-ol
CID 92985928
3-[4-(dimethylamino)butan-2-ylamino]-2,2-dimethylcyclobutan-1-ol
CID 112633910
2,2-dimethyl-3-(4-methylsulfanylbutan-2-ylamino)cyclobutan-1-ol
CID 115976765
(2R)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide
CID 104940471

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-hydroxybutan-2-yl]amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[[(2R)-1-hydroxybutan-2-yl]amino]-2,2-dimethylcyclobutan-1-ol (CID 103952275) is 3-[[(2R)-1-hydroxybutan-2-yl]amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[[(2R)-1-hydroxybutan-2-yl]amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[[(2R)-1-hydroxybutan-2-yl]amino]-2,2-dimethylcyclobutan-1-ol is CC[C@H](CO)NC1CC(O)C1(C)C.
What is the InChIKey of 3-[[(2R)-1-hydroxybutan-2-yl]amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is YOCRDLVCBAUTMQ-AFPNSQJFSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-7(6-12)11-8-5-9(13)10(8,2)3/h7-9,11-13H,4-6H2,1-3H3/t7-,8?,9?/m1/s1.
What are the key properties of 3-[[(2R)-1-hydroxybutan-2-yl]amino]-2,2-dimethylcyclobutan-1-ol?
3-[[(2R)-1-hydroxybutan-2-yl]amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-hydroxybutan-2-yl]amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 103952275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).