2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid

C15H20N2O3 — CID 63142475

IUPAC2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
SMILESCCC1(C(=O)Nc2ccccc2CC(=O)O)CCNC1
InChIInChI=1S/C15H20N2O3/c1-2-15(7-8-16-10-15)14(20)17-12-6-4-3-5-11(12)9-13(18)19/h3-6,16H,2,7-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyQTECTYJLXDEONG-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.64
Rot. Bonds5

About 2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid

2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid (PubChem CID 63142475) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
PubChem CID63142475
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
SMILESCCC1(C(=O)Nc2ccccc2CC(=O)O)CCNC1
InChIInChI=1S/C15H20N2O3/c1-2-15(7-8-16-10-15)14(20)17-12-6-4-3-5-11(12)9-13(18)19/h3-6,16H,2,7-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyQTECTYJLXDEONG-UHFFFAOYSA-N
XLogP1.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-amino-2-oxoethyl)phenyl]-4-ethylpiperidine-4-carboxamide
CID 63128122
N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63143656
2-chloro-6-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63722427
N-[2-(dimethylamino)phenyl]-3-ethylpiperidine-3-carboxamide
CID 63131246
3-ethyl-N-[2-(triazol-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 63139493
N-(2,6-diethylphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132509
N-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63138813
N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 63141717
4-[(3-ethylpyrrolidine-3-carbonyl)amino]-3-fluorobenzoic acid
CID 63187702
N-(2,3-dichlorophenyl)-3-ethylpiperidine-3-carboxamide
CID 55179344
2-chloro-6-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
CID 63724976
2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid
CID 65350521

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid (CID 63142475) is 2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid is CCC1(C(=O)Nc2ccccc2CC(=O)O)CCNC1.
What is the InChIKey of 2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid?
The InChIKey is QTECTYJLXDEONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-15(7-8-16-10-15)14(20)17-12-6-4-3-5-11(12)9-13(18)19/h3-6,16H,2,7-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid?
2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 63142475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).