(2S,3R)-3-amino-1-cyclobutylbutan-2-ol

C8H17NO — CID 124673545

IUPAC(2S,3R)-3-amino-1-cyclobutylbutan-2-ol
SMILESC[C@@H](N)[C@@H](O)CC1CCC1
InChIInChI=1S/C8H17NO/c1-6(9)8(10)5-7-3-2-4-7/h6-8,10H,2-5,9H2,1H3/t6-,8+/m1/s1
InChIKeyVRCNSERGLNEVFG-SVRRBLITSA-N
MW143.23 g/mol
LogP0.88
Rot. Bonds3

About (2S,3R)-3-amino-1-cyclobutylbutan-2-ol

(2S,3R)-3-amino-1-cyclobutylbutan-2-ol (PubChem CID 124673545) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2S,3R)-3-amino-1-cyclobutylbutan-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-amino-1-cyclobutylbutan-2-ol
PubChem CID124673545
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2S,3R)-3-amino-1-cyclobutylbutan-2-ol
SMILESC[C@@H](N)[C@@H](O)CC1CCC1
InChIInChI=1S/C8H17NO/c1-6(9)8(10)5-7-3-2-4-7/h6-8,10H,2-5,9H2,1H3/t6-,8+/m1/s1
InChIKeyVRCNSERGLNEVFG-SVRRBLITSA-N
XLogP0.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65459256
(2S)-1-cyclobutylpropan-2-amine
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(2R)-1-cyclobutylpropan-2-amine
CID 124506916
3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol
CID 164658398
1-cyclobutyl-3-methylhexan-2-ol
CID 115802415
(2R,3S,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol
CID 102069608
(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol;hydrochloride
CID 18643834
(2S,3R,4S)-2-amino-1-cyclohexyl-7-methyloctane-3,4-diol
CID 15042536
(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol;dihydrochloride
CID 18643833
(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
CID 10636664
(2R)-1-cyclohexyl-3-methylbutan-2-amine
CID 118964474
2-amino-1-cyclohexyl-6-methylheptane-3,4,5-triol
CID 22154938

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-amino-1-cyclobutylbutan-2-ol?
The IUPAC name of (2S,3R)-3-amino-1-cyclobutylbutan-2-ol (CID 124673545) is (2S,3R)-3-amino-1-cyclobutylbutan-2-ol.
What is the SMILES notation for (2S,3R)-3-amino-1-cyclobutylbutan-2-ol?
The canonical SMILES for (2S,3R)-3-amino-1-cyclobutylbutan-2-ol is C[C@@H](N)[C@@H](O)CC1CCC1.
What is the InChIKey of (2S,3R)-3-amino-1-cyclobutylbutan-2-ol?
The InChIKey is VRCNSERGLNEVFG-SVRRBLITSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(9)8(10)5-7-3-2-4-7/h6-8,10H,2-5,9H2,1H3/t6-,8+/m1/s1.
What are the key properties of (2S,3R)-3-amino-1-cyclobutylbutan-2-ol?
(2S,3R)-3-amino-1-cyclobutylbutan-2-ol has a molecular weight of 143.23 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-amino-1-cyclobutylbutan-2-ol is sourced from PubChem (CID 124673545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).