2-[2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]phenyl]acetic acid

C14H18N2O4 — CID 103357280

IUPAC2-[2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]phenyl]acetic acid
SMILESCC1(O)CCN(C(=O)Nc2ccccc2CC(=O)O)C1
InChIInChI=1S/C14H18N2O4/c1-14(20)6-7-16(9-14)13(19)15-11-5-3-2-4-10(11)8-12(17)18/h2-5,20H,6-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyISOPACRWYCLDNB-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.30
Rot. Bonds3

About 2-[2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]phenyl]acetic acid

2-[2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]phenyl]acetic acid (PubChem CID 103357280) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]phenyl]acetic acid
PubChem CID103357280
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]phenyl]acetic acid
SMILESCC1(O)CCN(C(=O)Nc2ccccc2CC(=O)O)C1
InChIInChI=1S/C14H18N2O4/c1-14(20)6-7-16(9-14)13(19)15-11-5-3-2-4-10(11)8-12(17)18/h2-5,20H,6-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyISOPACRWYCLDNB-UHFFFAOYSA-N
XLogP1.30
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]phenyl]acetic acid (CID 103357280) is 2-[2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]phenyl]acetic acid is CC1(O)CCN(C(=O)Nc2ccccc2CC(=O)O)C1.
What is the InChIKey of 2-[2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]phenyl]acetic acid?
The InChIKey is ISOPACRWYCLDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(20)6-7-16(9-14)13(19)15-11-5-3-2-4-10(11)8-12(17)18/h2-5,20H,6-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]phenyl]acetic acid?
2-[2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]phenyl]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 103357280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).