2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethoxy]acetic acid

C15H20N2O4 — CID 61326883

IUPAC2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1cccc(CN2CCCC2)c1
InChIInChI=1S/C15H20N2O4/c18-14(10-21-11-15(19)20)16-13-5-3-4-12(8-13)9-17-6-1-2-7-17/h3-5,8H,1-2,6-7,9-11H2,(H,16,18)(H,19,20)
InChIKeyHLVBLOYTAXDIHS-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.32
Rot. Bonds7

About 2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethoxy]acetic acid

2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethoxy]acetic acid (PubChem CID 61326883) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethoxy]acetic acid
PubChem CID61326883
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1cccc(CN2CCCC2)c1
InChIInChI=1S/C15H20N2O4/c18-14(10-21-11-15(19)20)16-13-5-3-4-12(8-13)9-17-6-1-2-7-17/h3-5,8H,1-2,6-7,9-11H2,(H,16,18)(H,19,20)
InChIKeyHLVBLOYTAXDIHS-UHFFFAOYSA-N
XLogP1.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 43704904
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428
4-(azepan-1-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131936661
2-hydroxyethyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate
CID 79345593
tert-butyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate
CID 65142881
4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119852953
3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 46339350
3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 46417093
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
2-(4-cyano-2-ethoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 46417263
2-pyrrolidin-2-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 61366397
2-(4-nitrophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 34454824

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethoxy]acetic acid (CID 61326883) is 2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethoxy]acetic acid is O=C(O)COCC(=O)Nc1cccc(CN2CCCC2)c1.
What is the InChIKey of 2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethoxy]acetic acid?
The InChIKey is HLVBLOYTAXDIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-14(10-21-11-15(19)20)16-13-5-3-4-12(8-13)9-17-6-1-2-7-17/h3-5,8H,1-2,6-7,9-11H2,(H,16,18)(H,19,20).
What are the key properties of 2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethoxy]acetic acid?
2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethoxy]acetic acid has a molecular weight of 292.34 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethoxy]acetic acid is sourced from PubChem (CID 61326883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).