1-[2-(cyclopropylamino)ethyl]pyrrolidine-3,4-diol

C9H18N2O2 — CID 106673566

IUPAC1-[2-(cyclopropylamino)ethyl]pyrrolidine-3,4-diol
SMILESOC1CN(CCNC2CC2)CC1O
InChIInChI=1S/C9H18N2O2/c12-8-5-11(6-9(8)13)4-3-10-7-1-2-7/h7-10,12-13H,1-6H2
InChIKeyWUEVYWPLQSHGTA-UHFFFAOYSA-N
MW186.25 g/mol
LogP-1.22
Rot. Bonds4

About 1-[2-(cyclopropylamino)ethyl]pyrrolidine-3,4-diol

1-[2-(cyclopropylamino)ethyl]pyrrolidine-3,4-diol (PubChem CID 106673566) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)ethyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)ethyl]pyrrolidine-3,4-diol
PubChem CID106673566
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-[2-(cyclopropylamino)ethyl]pyrrolidine-3,4-diol
SMILESOC1CN(CCNC2CC2)CC1O
InChIInChI=1S/C9H18N2O2/c12-8-5-11(6-9(8)13)4-3-10-7-1-2-7/h7-10,12-13H,1-6H2
InChIKeyWUEVYWPLQSHGTA-UHFFFAOYSA-N
XLogP-1.22
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]cyclopropanamine
CID 103532423
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
N-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]acetamide
CID 106672120
(3R,4R)-1-[2-(ethylamino)ethyl]pyrrolidine-3,4-diol
CID 11378791
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]cycloheptanamine
CID 113336240
N-cyclopropyl-3-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106672855
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentanamine
CID 66369856
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol
CID 106673564
1-[2-(tert-butylamino)ethyl]pyrrolidine-3,4-diol
CID 106673574
4-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine
CID 62561809
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]cycloheptanamine
CID 55024032

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylamino)ethyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[2-(cyclopropylamino)ethyl]pyrrolidine-3,4-diol (CID 106673566) is 1-[2-(cyclopropylamino)ethyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[2-(cyclopropylamino)ethyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[2-(cyclopropylamino)ethyl]pyrrolidine-3,4-diol is OC1CN(CCNC2CC2)CC1O.
What is the InChIKey of 1-[2-(cyclopropylamino)ethyl]pyrrolidine-3,4-diol?
The InChIKey is WUEVYWPLQSHGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c12-8-5-11(6-9(8)13)4-3-10-7-1-2-7/h7-10,12-13H,1-6H2.
What are the key properties of 1-[2-(cyclopropylamino)ethyl]pyrrolidine-3,4-diol?
1-[2-(cyclopropylamino)ethyl]pyrrolidine-3,4-diol has a molecular weight of 186.25 g/mol, XLogP of -1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylamino)ethyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106673566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).