3-amino-1-pyrrolidin-1-ylpropan-1-ol

C7H16N2O — CID 21283822

IUPAC3-amino-1-pyrrolidin-1-ylpropan-1-ol
SMILESNCCC(O)N1CCCC1
InChIInChI=1S/C7H16N2O/c8-4-3-7(10)9-5-1-2-6-9/h7,10H,1-6,8H2
InChIKeyRMCOSQLKVBETBR-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.25
Rot. Bonds3

About 3-amino-1-pyrrolidin-1-ylpropan-1-ol

3-amino-1-pyrrolidin-1-ylpropan-1-ol (PubChem CID 21283822) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 3-amino-1-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-pyrrolidin-1-ylpropan-1-ol
PubChem CID21283822
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name3-amino-1-pyrrolidin-1-ylpropan-1-ol
SMILESNCCC(O)N1CCCC1
InChIInChI=1S/C7H16N2O/c8-4-3-7(10)9-5-1-2-6-9/h7,10H,1-6,8H2
InChIKeyRMCOSQLKVBETBR-UHFFFAOYSA-N
XLogP-0.25
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-pyrrolidin-1-ylethanol
CID 70023810
1-(azepan-1-yl)-3-bromopropan-1-ol
CID 91001208
(1S)-1-pyrrolidin-1-ylethane-1,2-diol
CID 143982374
5-amino-2-oxo-3-pyrrolidin-1-ylpentanamide
CID 67374570
amino(pyrrolidin-1-yl)methanol
CID 57207139
1,3-diamino-1-pyrrolidin-1-ylpropan-2-ol
CID 66701816
amino(piperidin-1-yl)methanol
CID 91080151
12-(2-methylpropylamino)-1-pyrrolidin-1-yldodecan-1-ol
CID 146259248
octakis(3-aminopropane-1,1-diol);manganese;dihydrate
CID 5243006
3-amino-2-(azocan-1-yl)propan-1-ol
CID 104710806
2,4-diamino-1-piperidin-1-ylbutan-1-one
CID 24906298
5-amino-1-piperidin-1-ylpentan-2-ol
CID 18549935

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 3-amino-1-pyrrolidin-1-ylpropan-1-ol (CID 21283822) is 3-amino-1-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-pyrrolidin-1-ylpropan-1-ol is NCCC(O)N1CCCC1.
What is the InChIKey of 3-amino-1-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is RMCOSQLKVBETBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c8-4-3-7(10)9-5-1-2-6-9/h7,10H,1-6,8H2.
What are the key properties of 3-amino-1-pyrrolidin-1-ylpropan-1-ol?
3-amino-1-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 144.22 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 21283822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).