2-[N-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]acetic acid

C15H21N3O3 — CID 62634827

IUPAC2-[N-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]acetic acid
SMILESO=C(O)CN(C(=O)NCCN1CCCC1)c1ccccc1
InChIInChI=1S/C15H21N3O3/c19-14(20)12-18(13-6-2-1-3-7-13)15(21)16-8-11-17-9-4-5-10-17/h1-3,6-7H,4-5,8-12H2,(H,16,21)(H,19,20)
InChIKeyMUZAFKBJMBDRAQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.38
Rot. Bonds6

About 2-[N-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]acetic acid

2-[N-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]acetic acid (PubChem CID 62634827) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[N-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]acetic acid
PubChem CID62634827
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[N-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]acetic acid
SMILESO=C(O)CN(C(=O)NCCN1CCCC1)c1ccccc1
InChIInChI=1S/C15H21N3O3/c19-14(20)12-18(13-6-2-1-3-7-13)15(21)16-8-11-17-9-4-5-10-17/h1-3,6-7H,4-5,8-12H2,(H,16,21)(H,19,20)
InChIKeyMUZAFKBJMBDRAQ-UHFFFAOYSA-N
XLogP1.38
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-diphenyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 23738363
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
methyl N-phenyl-N-(2-pyrrolidin-1-ylethyl)carbamate
CID 142235373
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
2-[2-piperidin-1-ylethylcarbamoyl(propyl)amino]acetic acid
CID 55134965
N,2-diphenyl-N-(2-piperidin-1-ylethyl)acetamide
CID 23882390
2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 62636200
2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid
CID 82941568
2-[carboxymethyl(3-pyrrolidin-1-ylpropylcarbamoyl)amino]acetic acid
CID 63646345
3-[N-(3-aminopropylcarbamoyl)anilino]propanoic acid
CID 62275370
2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61240014
2-[N-(2,2-dimethylbutylcarbamoyl)anilino]acetic acid
CID 103463334

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]acetic acid?
The IUPAC name of 2-[N-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]acetic acid (CID 62634827) is 2-[N-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]acetic acid.
What is the SMILES notation for 2-[N-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]acetic acid?
The canonical SMILES for 2-[N-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]acetic acid is O=C(O)CN(C(=O)NCCN1CCCC1)c1ccccc1.
What is the InChIKey of 2-[N-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]acetic acid?
The InChIKey is MUZAFKBJMBDRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-14(20)12-18(13-6-2-1-3-7-13)15(21)16-8-11-17-9-4-5-10-17/h1-3,6-7H,4-5,8-12H2,(H,16,21)(H,19,20).
What are the key properties of 2-[N-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]acetic acid?
2-[N-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]acetic acid is sourced from PubChem (CID 62634827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).