3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol

C8H18N2O — CID 104881569

IUPAC3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol
SMILESCC(CO)CN1CC[C@@H](N)C1
InChIInChI=1S/C8H18N2O/c1-7(6-11)4-10-3-2-8(9)5-10/h7-8,11H,2-6,9H2,1H3/t7?,8-/m1/s1
InChIKeyIDAGUMMFNJTAFD-BRFYHDHCSA-N
MW158.25 g/mol
LogP-0.35
Rot. Bonds3

About 3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol

3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol (PubChem CID 104881569) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol
PubChem CID104881569
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol
SMILESCC(CO)CN1CC[C@@H](N)C1
InChIInChI=1S/C8H18N2O/c1-7(6-11)4-10-3-2-8(9)5-10/h7-8,11H,2-6,9H2,1H3/t7?,8-/m1/s1
InChIKeyIDAGUMMFNJTAFD-BRFYHDHCSA-N
XLogP-0.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-methylpentyl)pyrrolidin-3-amine
CID 115302330
(2S)-1-(3-aminopyrrolidin-1-yl)propan-2-ol
CID 103840761
3-(3-aminopyrrolidin-1-yl)propane-1,2-diol
CID 115492032
3-[(3R)-3-aminopyrrolidin-1-yl]propane-1,2-diol
CID 82850969
3-(4-ethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 115872854
methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate
CID 115302351
(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine
CID 79005005
1-(2,2-dimethoxyethyl)pyrrolidin-3-amine
CID 66222555
(2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol
CID 106933676
1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol
CID 102984754
1-(3-aminopyrrolidin-1-yl)-3-methylbutan-2-one
CID 79395094
2-methyl-3-[(3S)-3-methylpiperazin-1-yl]propan-1-ol
CID 104977369

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol (CID 104881569) is 3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol is CC(CO)CN1CC[C@@H](N)C1.
What is the InChIKey of 3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol?
The InChIKey is IDAGUMMFNJTAFD-BRFYHDHCSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(6-11)4-10-3-2-8(9)5-10/h7-8,11H,2-6,9H2,1H3/t7?,8-/m1/s1.
What are the key properties of 3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol?
3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol has a molecular weight of 158.25 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 104881569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).