3-(2-aminobutan-2-yl)pyrrolidin-3-ol

C8H18N2O — CID 57157135

IUPAC3-(2-aminobutan-2-yl)pyrrolidin-3-ol
SMILESCCC(C)(N)C1(O)CCNC1
InChIInChI=1S/C8H18N2O/c1-3-7(2,9)8(11)4-5-10-6-8/h10-11H,3-6,9H2,1-2H3
InChIKeyAYJGCTKOSAVZKT-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.16
Rot. Bonds2

About 3-(2-aminobutan-2-yl)pyrrolidin-3-ol

3-(2-aminobutan-2-yl)pyrrolidin-3-ol (PubChem CID 57157135) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-(2-aminobutan-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(2-aminobutan-2-yl)pyrrolidin-3-ol
PubChem CID57157135
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-(2-aminobutan-2-yl)pyrrolidin-3-ol
SMILESCCC(C)(N)C1(O)CCNC1
InChIInChI=1S/C8H18N2O/c1-3-7(2,9)8(11)4-5-10-6-8/h10-11H,3-6,9H2,1-2H3
InChIKeyAYJGCTKOSAVZKT-UHFFFAOYSA-N
XLogP-0.16
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminobutan-2-yl)pyrrolidin-3-ol?
The IUPAC name of 3-(2-aminobutan-2-yl)pyrrolidin-3-ol (CID 57157135) is 3-(2-aminobutan-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(2-aminobutan-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 3-(2-aminobutan-2-yl)pyrrolidin-3-ol is CCC(C)(N)C1(O)CCNC1.
What is the InChIKey of 3-(2-aminobutan-2-yl)pyrrolidin-3-ol?
The InChIKey is AYJGCTKOSAVZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-7(2,9)8(11)4-5-10-6-8/h10-11H,3-6,9H2,1-2H3.
What are the key properties of 3-(2-aminobutan-2-yl)pyrrolidin-3-ol?
3-(2-aminobutan-2-yl)pyrrolidin-3-ol has a molecular weight of 158.24 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminobutan-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 57157135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).