3-(3-aminopyrrolidin-1-yl)propane-1,2-diol

C7H16N2O2 — CID 115492032

IUPAC3-(3-aminopyrrolidin-1-yl)propane-1,2-diol
SMILESNC1CCN(CC(O)CO)C1
InChIInChI=1S/C7H16N2O2/c8-6-1-2-9(3-6)4-7(11)5-10/h6-7,10-11H,1-5,8H2
InChIKeyNVGHTGJWLYBLSH-UHFFFAOYSA-N
MW160.22 g/mol
LogP-1.63
Rot. Bonds3

About 3-(3-aminopyrrolidin-1-yl)propane-1,2-diol

3-(3-aminopyrrolidin-1-yl)propane-1,2-diol (PubChem CID 115492032) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-(3-aminopyrrolidin-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(3-aminopyrrolidin-1-yl)propane-1,2-diol
PubChem CID115492032
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name3-(3-aminopyrrolidin-1-yl)propane-1,2-diol
SMILESNC1CCN(CC(O)CO)C1
InChIInChI=1S/C7H16N2O2/c8-6-1-2-9(3-6)4-7(11)5-10/h6-7,10-11H,1-5,8H2
InChIKeyNVGHTGJWLYBLSH-UHFFFAOYSA-N
XLogP-1.63
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-3-aminopyrrolidin-1-yl]propane-1,2-diol
CID 82850969
3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol
CID 104881569
3-[(3R)-3-hydroxypyrrolidin-1-yl]propane-1,2-diol
CID 103857755
(2S)-1-(3-aminopyrrolidin-1-yl)propan-2-ol
CID 103840761
3-(3-methylpyrrolidin-1-yl)propane-1,2-diol
CID 23396961
3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol
CID 115773044
3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol
CID 115773094
(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine
CID 79005005
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106992691
1-(2,3-dihydroxypropyl)pyrrolidine-3-carboxylic acid
CID 57486049
3-(3-ethyl-4-hydroxypiperidin-1-yl)propane-1,2-diol
CID 114511014
2-(3-aminopyrrolidin-1-yl)ethanol;ethane;molecular hydrogen
CID 153346561

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopyrrolidin-1-yl)propane-1,2-diol?
The IUPAC name of 3-(3-aminopyrrolidin-1-yl)propane-1,2-diol (CID 115492032) is 3-(3-aminopyrrolidin-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(3-aminopyrrolidin-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(3-aminopyrrolidin-1-yl)propane-1,2-diol is NC1CCN(CC(O)CO)C1.
What is the InChIKey of 3-(3-aminopyrrolidin-1-yl)propane-1,2-diol?
The InChIKey is NVGHTGJWLYBLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c8-6-1-2-9(3-6)4-7(11)5-10/h6-7,10-11H,1-5,8H2.
What are the key properties of 3-(3-aminopyrrolidin-1-yl)propane-1,2-diol?
3-(3-aminopyrrolidin-1-yl)propane-1,2-diol has a molecular weight of 160.22 g/mol, XLogP of -1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopyrrolidin-1-yl)propane-1,2-diol is sourced from PubChem (CID 115492032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).