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

C16H22N2O3 — CID 106980832

IUPAC2-[3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
SMILESCC(C)C1(C(=O)Nc2cccc(CC(=O)O)c2)CCNC1
InChIInChI=1S/C16H22N2O3/c1-11(2)16(6-7-17-10-16)15(21)18-13-5-3-4-12(8-13)9-14(19)20/h3-5,8,11,17H,6-7,9-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyYNCXWQVPTUXJGK-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.89
Rot. Bonds5

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

2-[3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid (PubChem CID 106980832) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
PubChem CID106980832
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
SMILESCC(C)C1(C(=O)Nc2cccc(CC(=O)O)c2)CCNC1
InChIInChI=1S/C16H22N2O3/c1-11(2)16(6-7-17-10-16)15(21)18-13-5-3-4-12(8-13)9-14(19)20/h3-5,8,11,17H,6-7,9-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyYNCXWQVPTUXJGK-UHFFFAOYSA-N
XLogP1.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 106980261
2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid
CID 65350521
N-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981090
2-fluoro-4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 107795101
N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979608
2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid
CID 119351811
N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979554
2-(3-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982052
N-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979573
3-ethyl-N-(3-ethylphenyl)pyrrolidine-3-carboxamide
CID 55165902
2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119352047
2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119351837

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid (CID 106980832) is 2-[3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid is CC(C)C1(C(=O)Nc2cccc(CC(=O)O)c2)CCNC1.
What is the InChIKey of 2-[3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid?
The InChIKey is YNCXWQVPTUXJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)16(6-7-17-10-16)15(21)18-13-5-3-4-12(8-13)9-14(19)20/h3-5,8,11,17H,6-7,9-10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-[3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid?
2-[3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 106980832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).