(2S,3R)-3-pyrrolidin-1-ylbutan-2-ol

C8H17NO — CID 59057792

IUPAC(2S,3R)-3-pyrrolidin-1-ylbutan-2-ol
SMILESC[C@H](O)[C@@H](C)N1CCCC1
InChIInChI=1S/C8H17NO/c1-7(8(2)10)9-5-3-4-6-9/h7-8,10H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyBGCTWVUZVVCIMP-SFYZADRCSA-N
MW143.23 g/mol
LogP0.85
Rot. Bonds2

About (2S,3R)-3-pyrrolidin-1-ylbutan-2-ol

(2S,3R)-3-pyrrolidin-1-ylbutan-2-ol (PubChem CID 59057792) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2S,3R)-3-pyrrolidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-pyrrolidin-1-ylbutan-2-ol
PubChem CID59057792
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2S,3R)-3-pyrrolidin-1-ylbutan-2-ol
SMILESC[C@H](O)[C@@H](C)N1CCCC1
InChIInChI=1S/C8H17NO/c1-7(8(2)10)9-5-3-4-6-9/h7-8,10H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyBGCTWVUZVVCIMP-SFYZADRCSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-3-piperidin-1-ylbutan-2-ol
CID 51980607
1-(3-hydroxybutan-2-yl)-4-methylazepan-4-ol
CID 107407212
3-(8-azaspiro[4.5]decan-8-yl)butan-2-ol
CID 63158941
1-(3-hydroxybutan-2-yl)-3-methylpiperidin-3-ol
CID 115874049
(1S)-1-piperidin-1-ylethanol
CID 86312531
ethane;1-(3-methylbutan-2-yl)pyrrolidine
CID 178106115
3-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-ol
CID 63171314
(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 11830572
ethane;1-propan-2-ylpyrrolidine
CID 167557798
(2S,3S)-1,2,3-tri(piperidin-1-yl)butan-1-one
CID 92573696
3-methyl-4-piperidin-1-ylpentanoic acid
CID 82397674
propan-2-one;1-propan-2-ylpyrrolidine
CID 160872903

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-pyrrolidin-1-ylbutan-2-ol?
The IUPAC name of (2S,3R)-3-pyrrolidin-1-ylbutan-2-ol (CID 59057792) is (2S,3R)-3-pyrrolidin-1-ylbutan-2-ol.
What is the SMILES notation for (2S,3R)-3-pyrrolidin-1-ylbutan-2-ol?
The canonical SMILES for (2S,3R)-3-pyrrolidin-1-ylbutan-2-ol is C[C@H](O)[C@@H](C)N1CCCC1.
What is the InChIKey of (2S,3R)-3-pyrrolidin-1-ylbutan-2-ol?
The InChIKey is BGCTWVUZVVCIMP-SFYZADRCSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(8(2)10)9-5-3-4-6-9/h7-8,10H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (2S,3R)-3-pyrrolidin-1-ylbutan-2-ol?
(2S,3R)-3-pyrrolidin-1-ylbutan-2-ol has a molecular weight of 143.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-pyrrolidin-1-ylbutan-2-ol is sourced from PubChem (CID 59057792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).