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

C13H18N2O4 — CID 112627156

IUPAC2-[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid
SMILESCC(O)C1CCN(C(=O)c2cccn2CC(=O)O)C1
InChIInChI=1S/C13H18N2O4/c1-9(16)10-4-6-15(7-10)13(19)11-3-2-5-14(11)8-12(17)18/h2-3,5,9-10,16H,4,6-8H2,1H3,(H,17,18)
InChIKeyZWWUHMPMIKEWHA-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.42
Rot. Bonds4

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

2-[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid (PubChem CID 112627156) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid
PubChem CID112627156
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid
SMILESCC(O)C1CCN(C(=O)c2cccn2CC(=O)O)C1
InChIInChI=1S/C13H18N2O4/c1-9(16)10-4-6-15(7-10)13(19)11-3-2-5-14(11)8-12(17)18/h2-3,5,9-10,16H,4,6-8H2,1H3,(H,17,18)
InChIKeyZWWUHMPMIKEWHA-UHFFFAOYSA-N
XLogP0.42
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 112627151
2-[2-(3-hydroxypyrrolidine-1-carbonyl)pyrrol-1-yl]acetic acid
CID 79331961
[3-(1-aminoethyl)pyrrolidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
CID 103975815
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-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid
CID 114799242
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 115965184
2-[2-(4-propylazepane-1-carbonyl)pyrrol-1-yl]acetic acid
CID 79322507
3-[1-(1-ethylpyrrole-2-carbonyl)piperidin-3-yl]butanoic acid
CID 81042260
2-[2-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrol-1-yl]acetic acid
CID 79322304
[3-(1-aminoethyl)pyrrolidin-1-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone
CID 114610644
2-[2-(4-tert-butylpiperazine-1-carbonyl)pyrrol-1-yl]acetic acid
CID 79321939
2-[2-(4-methylsulfonylpiperazine-1-carbonyl)pyrrol-1-yl]acetic acid
CID 79322489

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid (CID 112627156) is 2-[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid is CC(O)C1CCN(C(=O)c2cccn2CC(=O)O)C1.
What is the InChIKey of 2-[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid?
The InChIKey is ZWWUHMPMIKEWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(16)10-4-6-15(7-10)13(19)11-3-2-5-14(11)8-12(17)18/h2-3,5,9-10,16H,4,6-8H2,1H3,(H,17,18).
What are the key properties of 2-[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid?
2-[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 112627156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).