1-(1-amino-3-methylbutan-2-yl)pyrrolidin-3-ol

C9H20N2O — CID 68572333

IUPAC1-(1-amino-3-methylbutan-2-yl)pyrrolidin-3-ol
SMILESCC(C)C(CN)N1CCC(O)C1
InChIInChI=1S/C9H20N2O/c1-7(2)9(5-10)11-4-3-8(12)6-11/h7-9,12H,3-6,10H2,1-2H3
InChIKeyNCXPHYMZRYGONX-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.04
Rot. Bonds3

About 1-(1-amino-3-methylbutan-2-yl)pyrrolidin-3-ol

1-(1-amino-3-methylbutan-2-yl)pyrrolidin-3-ol (PubChem CID 68572333) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(1-amino-3-methylbutan-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1-amino-3-methylbutan-2-yl)pyrrolidin-3-ol
PubChem CID68572333
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-(1-amino-3-methylbutan-2-yl)pyrrolidin-3-ol
SMILESCC(C)C(CN)N1CCC(O)C1
InChIInChI=1S/C9H20N2O/c1-7(2)9(5-10)11-4-3-8(12)6-11/h7-9,12H,3-6,10H2,1-2H3
InChIKeyNCXPHYMZRYGONX-UHFFFAOYSA-N
XLogP0.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-amino-3-methylbutan-2-yl)piperidin-4-ol
CID 82405643
1-(1-amino-3-methylbutan-2-yl)azetidin-3-ol
CID 82415729
(3S)-1-[(2R)-3-methylbutan-2-yl]pyrrolidin-3-ol
CID 172508295
3-(3-hydroxypyrrolidin-1-yl)-4-methylpentanoic acid
CID 83819381
1-(1-aminoethyl)pyrrolidin-3-ol
CID 68831329
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
(2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 51624584
3-methyl-2-(3-propan-2-ylazetidin-1-yl)butan-1-amine
CID 79677583
3-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine
CID 61217888
1-(1-aminopropan-2-yl)azetidin-3-ol
CID 83815022
methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate
CID 62918498
2-[(3R)-3-hydroxypyrrolidin-1-yl]propanenitrile
CID 66291661

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3-methylbutan-2-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(1-amino-3-methylbutan-2-yl)pyrrolidin-3-ol (CID 68572333) is 1-(1-amino-3-methylbutan-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(1-amino-3-methylbutan-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(1-amino-3-methylbutan-2-yl)pyrrolidin-3-ol is CC(C)C(CN)N1CCC(O)C1.
What is the InChIKey of 1-(1-amino-3-methylbutan-2-yl)pyrrolidin-3-ol?
The InChIKey is NCXPHYMZRYGONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)9(5-10)11-4-3-8(12)6-11/h7-9,12H,3-6,10H2,1-2H3.
What are the key properties of 1-(1-amino-3-methylbutan-2-yl)pyrrolidin-3-ol?
1-(1-amino-3-methylbutan-2-yl)pyrrolidin-3-ol has a molecular weight of 172.27 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-methylbutan-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 68572333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).