2-[1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic acid

C13H16N2O5 — CID 61371275

IUPAC2-[1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)CNC(=O)c1ccco1
InChIInChI=1S/C13H16N2O5/c16-11(8-14-13(19)10-4-2-6-20-10)15-5-1-3-9(15)7-12(17)18/h2,4,6,9H,1,3,5,7-8H2,(H,14,19)(H,17,18)
InChIKeyFDALUCOZGJQQCP-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.48
Rot. Bonds5

About 2-[1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic acid

2-[1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61371275) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic acid
PubChem CID61371275
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-[1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)CNC(=O)c1ccco1
InChIInChI=1S/C13H16N2O5/c16-11(8-14-13(19)10-4-2-6-20-10)15-5-1-3-9(15)7-12(17)18/h2,4,6,9H,1,3,5,7-8H2,(H,14,19)(H,17,18)
InChIKeyFDALUCOZGJQQCP-UHFFFAOYSA-N
XLogP0.48
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid
CID 43171014
N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 51552986
2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid
CID 61372139
N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 119649101
N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 99609425
N-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]benzamide
CID 47066258
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 119631388
methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate
CID 78919778
1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79540989
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
CID 94017739
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]furan-2-carboxamide
CID 110202267
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic acid (CID 61371275) is 2-[1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)CNC(=O)c1ccco1.
What is the InChIKey of 2-[1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is FDALUCOZGJQQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c16-11(8-14-13(19)10-4-2-6-20-10)15-5-1-3-9(15)7-12(17)18/h2,4,6,9H,1,3,5,7-8H2,(H,14,19)(H,17,18).
What are the key properties of 2-[1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic acid?
2-[1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 280.28 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61371275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).