1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]pyrrolidine-3-carboxylic acid

C18H18N2O6 — CID 119354069

IUPAC1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]pyrrolidine-3-carboxylic acid
SMILESO=C(Nc1cccc(OCC(=O)N2CCC(C(=O)O)C2)c1)c1ccco1
InChIInChI=1S/C18H18N2O6/c21-16(20-7-6-12(10-20)18(23)24)11-26-14-4-1-3-13(9-14)19-17(22)15-5-2-8-25-15/h1-5,8-9,12H,6-7,10-11H2,(H,19,22)(H,23,24)
InChIKeyYBUKRCMNZLBKRN-UHFFFAOYSA-N
MW358.35 g/mol
LogP1.84
Rot. Bonds6

About 1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]pyrrolidine-3-carboxylic acid

1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 119354069) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is 1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]pyrrolidine-3-carboxylic acid
PubChem CID119354069
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]pyrrolidine-3-carboxylic acid
SMILESO=C(Nc1cccc(OCC(=O)N2CCC(C(=O)O)C2)c1)c1ccco1
InChIInChI=1S/C18H18N2O6/c21-16(20-7-6-12(10-20)18(23)24)11-26-14-4-1-3-13(9-14)19-17(22)15-5-2-8-25-15/h1-5,8-9,12H,6-7,10-11H2,(H,19,22)(H,23,24)
InChIKeyYBUKRCMNZLBKRN-UHFFFAOYSA-N
XLogP1.84
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid
CID 119178015
N-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]furan-2-carboxamide
CID 46407153
6-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174620
(3aS,6aR)-2-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120681885
cis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676823
N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide
CID 55855668
1-[2-(3-bromophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63031622
N-[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55953436
N-[3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55961197
N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 119477145
1-[[3-(2-methylpropoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122076727
2-[3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119352027

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]pyrrolidine-3-carboxylic acid (CID 119354069) is 1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]pyrrolidine-3-carboxylic acid is O=C(Nc1cccc(OCC(=O)N2CCC(C(=O)O)C2)c1)c1ccco1.
What is the InChIKey of 1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is YBUKRCMNZLBKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6/c21-16(20-7-6-12(10-20)18(23)24)11-26-14-4-1-3-13(9-14)19-17(22)15-5-2-8-25-15/h1-5,8-9,12H,6-7,10-11H2,(H,19,22)(H,23,24).
What are the key properties of 1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]pyrrolidine-3-carboxylic acid?
1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 358.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119354069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).