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

C13H18N2O4 — CID 114799242

IUPAC2-[2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1cccc1C(=O)N1CCC(CCO)C1
InChIInChI=1S/C13H18N2O4/c16-7-4-10-3-6-15(8-10)13(19)11-2-1-5-14(11)9-12(17)18/h1-2,5,10,16H,3-4,6-9H2,(H,17,18)
InChIKeyYMVBDAQKHWJGJS-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.42
Rot. Bonds5

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

2-[2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid (PubChem CID 114799242) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid
PubChem CID114799242
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1cccc1C(=O)N1CCC(CCO)C1
InChIInChI=1S/C13H18N2O4/c16-7-4-10-3-6-15(8-10)13(19)11-2-1-5-14(11)9-12(17)18/h1-2,5,10,16H,3-4,6-9H2,(H,17,18)
InChIKeyYMVBDAQKHWJGJS-UHFFFAOYSA-N
XLogP0.42
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-hydroxypyrrolidine-1-carbonyl)pyrrol-1-yl]acetic acid
CID 79331961
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)pyrrol-1-yl]acetic acid
CID 79321915
2-[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid
CID 112627156
2-[2-(4-propylazepane-1-carbonyl)pyrrol-1-yl]acetic acid
CID 79322507
[(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone
CID 94339941
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylpyrrol-2-yl)methanone
CID 62061622
2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid
CID 79615657
2-[2-(4-tert-butylpiperazine-1-carbonyl)pyrrol-1-yl]acetic acid
CID 79321939
3-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 115775390
2-[2-(4-methylsulfonylpiperazine-1-carbonyl)pyrrol-1-yl]acetic acid
CID 79322489
[1-(2,2-difluoroethyl)pyrrol-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 114610241
(3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746304

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid (CID 114799242) is 2-[2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid is O=C(O)Cn1cccc1C(=O)N1CCC(CCO)C1.
What is the InChIKey of 2-[2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid?
The InChIKey is YMVBDAQKHWJGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c16-7-4-10-3-6-15(8-10)13(19)11-2-1-5-14(11)9-12(17)18/h1-2,5,10,16H,3-4,6-9H2,(H,17,18).
What are the key properties of 2-[2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid?
2-[2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 114799242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).