2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid

C15H21N3O3 — CID 62636200

IUPAC2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)NCCN1CCCC1
InChIInChI=1S/C15H21N3O3/c19-14(20)11-12-5-1-2-6-13(12)17-15(21)16-7-10-18-8-3-4-9-18/h1-2,5-6H,3-4,7-11H2,(H,19,20)(H2,16,17,21)
InChIKeyYOJZTDKSPZDEEL-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.53
Rot. Bonds6

About 2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid

2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid (PubChem CID 62636200) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid
PubChem CID62636200
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)NCCN1CCCC1
InChIInChI=1S/C15H21N3O3/c19-14(20)11-12-5-1-2-6-13(12)17-15(21)16-7-10-18-8-3-4-9-18/h1-2,5-6H,3-4,7-11H2,(H,19,20)(H2,16,17,21)
InChIKeyYOJZTDKSPZDEEL-UHFFFAOYSA-N
XLogP1.53
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-benzylphenyl)-3-[2-(4-hydroxypiperidin-1-yl)ethyl]urea
CID 74244259
1-[2-(aziridin-1-yl)ethyl]-3-naphthalen-1-ylurea
CID 598105
2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 62535953
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid
CID 62536138
3-methyl-4-(2-pyrrolidin-1-ylethylcarbamoylamino)benzoic acid
CID 62635338
1-(2-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 15989534
1,1-diphenyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 23738363
3-(3-pyrrolidin-1-ylpropylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743602
1-(4-aminophenyl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 55097980
3-bromo-2-(2-pyrrolidin-1-ylethylcarbamoylamino)benzoic acid
CID 63113652
1-(2-ethylphenyl)-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]urea
CID 56790767

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid?
The IUPAC name of 2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid (CID 62636200) is 2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)NCCN1CCCC1.
What is the InChIKey of 2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid?
The InChIKey is YOJZTDKSPZDEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-14(20)11-12-5-1-2-6-13(12)17-15(21)16-7-10-18-8-3-4-9-18/h1-2,5-6H,3-4,7-11H2,(H,19,20)(H2,16,17,21).
What are the key properties of 2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid?
2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid is sourced from PubChem (CID 62636200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).