2-[3-[(1-methylpyrrolidin-3-yl)carbamoylamino]phenoxy]acetic acid

C14H19N3O4 — CID 61464965

IUPAC2-[3-[(1-methylpyrrolidin-3-yl)carbamoylamino]phenoxy]acetic acid
SMILESCN1CCC(NC(=O)Nc2cccc(OCC(=O)O)c2)C1
InChIInChI=1S/C14H19N3O4/c1-17-6-5-11(8-17)16-14(20)15-10-3-2-4-12(7-10)21-9-13(18)19/h2-4,7,11H,5-6,8-9H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyFKNCFPFGWSZXSF-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.98
Rot. Bonds5

About 2-[3-[(1-methylpyrrolidin-3-yl)carbamoylamino]phenoxy]acetic acid

2-[3-[(1-methylpyrrolidin-3-yl)carbamoylamino]phenoxy]acetic acid (PubChem CID 61464965) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[3-[(1-methylpyrrolidin-3-yl)carbamoylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(1-methylpyrrolidin-3-yl)carbamoylamino]phenoxy]acetic acid
PubChem CID61464965
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[3-[(1-methylpyrrolidin-3-yl)carbamoylamino]phenoxy]acetic acid
SMILESCN1CCC(NC(=O)Nc2cccc(OCC(=O)O)c2)C1
InChIInChI=1S/C14H19N3O4/c1-17-6-5-11(8-17)16-14(20)15-10-3-2-4-12(7-10)21-9-13(18)19/h2-4,7,11H,5-6,8-9H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyFKNCFPFGWSZXSF-UHFFFAOYSA-N
XLogP0.98
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid
CID 61057844
1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea
CID 61222902
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea
CID 59781432
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea
CID 61465218
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
2-[3-(tert-butylcarbamoylamino)phenoxy]acetic acid
CID 61057848
2-[3-(butan-2-ylcarbamoylamino)phenoxy]acetic acid
CID 61188461
2-[3-[[[3-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]phenoxy]acetic acid
CID 119246952
2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid
CID 61186973
1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea
CID 86837924
2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid
CID 61058468

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-methylpyrrolidin-3-yl)carbamoylamino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(1-methylpyrrolidin-3-yl)carbamoylamino]phenoxy]acetic acid (CID 61464965) is 2-[3-[(1-methylpyrrolidin-3-yl)carbamoylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(1-methylpyrrolidin-3-yl)carbamoylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(1-methylpyrrolidin-3-yl)carbamoylamino]phenoxy]acetic acid is CN1CCC(NC(=O)Nc2cccc(OCC(=O)O)c2)C1.
What is the InChIKey of 2-[3-[(1-methylpyrrolidin-3-yl)carbamoylamino]phenoxy]acetic acid?
The InChIKey is FKNCFPFGWSZXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-17-6-5-11(8-17)16-14(20)15-10-3-2-4-12(7-10)21-9-13(18)19/h2-4,7,11H,5-6,8-9H2,1H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[3-[(1-methylpyrrolidin-3-yl)carbamoylamino]phenoxy]acetic acid?
2-[3-[(1-methylpyrrolidin-3-yl)carbamoylamino]phenoxy]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-methylpyrrolidin-3-yl)carbamoylamino]phenoxy]acetic acid is sourced from PubChem (CID 61464965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).