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

C11H14N2O4 — CID 79331961

IUPAC2-[2-(3-hydroxypyrrolidine-1-carbonyl)pyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1cccc1C(=O)N1CCC(O)C1
InChIInChI=1S/C11H14N2O4/c14-8-3-5-13(6-8)11(17)9-2-1-4-12(9)7-10(15)16/h1-2,4,8,14H,3,5-7H2,(H,15,16)
InChIKeyKRYWWAGEYXVNOC-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.22
Rot. Bonds3

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

2-[2-(3-hydroxypyrrolidine-1-carbonyl)pyrrol-1-yl]acetic acid (PubChem CID 79331961) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[2-(3-hydroxypyrrolidine-1-carbonyl)pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-hydroxypyrrolidine-1-carbonyl)pyrrol-1-yl]acetic acid
PubChem CID79331961
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[2-(3-hydroxypyrrolidine-1-carbonyl)pyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1cccc1C(=O)N1CCC(O)C1
InChIInChI=1S/C11H14N2O4/c14-8-3-5-13(6-8)11(17)9-2-1-4-12(9)7-10(15)16/h1-2,4,8,14H,3,5-7H2,(H,15,16)
InChIKeyKRYWWAGEYXVNOC-UHFFFAOYSA-N
XLogP-0.22
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid
CID 112627156
(3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 43639083
2-[2-(4-propylazepane-1-carbonyl)pyrrol-1-yl]acetic acid
CID 79322507
(1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43638941
1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324531
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
2-[2-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrol-1-yl]acetic acid
CID 79322304
2-[2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrol-1-yl]acetic acid
CID 102745112
2-[2-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)pyrrol-1-yl]acetic acid
CID 102891658

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypyrrolidine-1-carbonyl)pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-(3-hydroxypyrrolidine-1-carbonyl)pyrrol-1-yl]acetic acid (CID 79331961) is 2-[2-(3-hydroxypyrrolidine-1-carbonyl)pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-hydroxypyrrolidine-1-carbonyl)pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(3-hydroxypyrrolidine-1-carbonyl)pyrrol-1-yl]acetic acid is O=C(O)Cn1cccc1C(=O)N1CCC(O)C1.
What is the InChIKey of 2-[2-(3-hydroxypyrrolidine-1-carbonyl)pyrrol-1-yl]acetic acid?
The InChIKey is KRYWWAGEYXVNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c14-8-3-5-13(6-8)11(17)9-2-1-4-12(9)7-10(15)16/h1-2,4,8,14H,3,5-7H2,(H,15,16).
What are the key properties of 2-[2-(3-hydroxypyrrolidine-1-carbonyl)pyrrol-1-yl]acetic acid?
2-[2-(3-hydroxypyrrolidine-1-carbonyl)pyrrol-1-yl]acetic acid has a molecular weight of 238.24 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxypyrrolidine-1-carbonyl)pyrrol-1-yl]acetic acid is sourced from PubChem (CID 79331961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).