2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid

C13H22N2O4 — CID 114798908

IUPAC2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)N2CCC(CCO)C2)C1
InChIInChI=1S/C13H22N2O4/c16-6-3-10-1-4-14(8-10)13(19)15-5-2-11(9-15)7-12(17)18/h10-11,16H,1-9H2,(H,17,18)
InChIKeyZUXOTVQPNQGFPG-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.61
Rot. Bonds4

About 2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid

2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid (PubChem CID 114798908) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
PubChem CID114798908
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)N2CCC(CCO)C2)C1
InChIInChI=1S/C13H22N2O4/c16-6-3-10-1-4-14(8-10)13(19)15-5-2-11(9-15)7-12(17)18/h10-11,16H,1-9H2,(H,17,18)
InChIKeyZUXOTVQPNQGFPG-UHFFFAOYSA-N
XLogP0.61
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 112626827
2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79181595
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid
CID 104767982
2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 114538676
2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617041
(3S)-1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 107228221
2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid
CID 19705453
2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114797273
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]but-3-en-1-one
CID 114799302
3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 114799133
2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid
CID 79608844
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-methylcyclohexyl)methanone
CID 115775330

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid (CID 114798908) is 2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid is O=C(O)CC1CCN(C(=O)N2CCC(CCO)C2)C1.
What is the InChIKey of 2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid?
The InChIKey is ZUXOTVQPNQGFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-6-3-10-1-4-14(8-10)13(19)15-5-2-11(9-15)7-12(17)18/h10-11,16H,1-9H2,(H,17,18).
What are the key properties of 2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid?
2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 114798908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).