3-[[2-(furan-2-carbonylamino)acetyl]amino]oxolane-3-carboxylic acid

C12H14N2O6 — CID 64887873

IUPAC3-[[2-(furan-2-carbonylamino)acetyl]amino]oxolane-3-carboxylic acid
SMILESO=C(CNC(=O)c1ccco1)NC1(C(=O)O)CCOC1
InChIInChI=1S/C12H14N2O6/c15-9(6-13-10(16)8-2-1-4-20-8)14-12(11(17)18)3-5-19-7-12/h1-2,4H,3,5-7H2,(H,13,16)(H,14,15)(H,17,18)
InChIKeyIECICTPFPLGNSQ-UHFFFAOYSA-N
MW282.25 g/mol
LogP-0.63
Rot. Bonds5

About 3-[[2-(furan-2-carbonylamino)acetyl]amino]oxolane-3-carboxylic acid

3-[[2-(furan-2-carbonylamino)acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 64887873) has the molecular formula C12H14N2O6 and a molecular weight of 282.25 g/mol. Its IUPAC name is 3-[[2-(furan-2-carbonylamino)acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(furan-2-carbonylamino)acetyl]amino]oxolane-3-carboxylic acid
PubChem CID64887873
Molecular FormulaC12H14N2O6
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name3-[[2-(furan-2-carbonylamino)acetyl]amino]oxolane-3-carboxylic acid
SMILESO=C(CNC(=O)c1ccco1)NC1(C(=O)O)CCOC1
InChIInChI=1S/C12H14N2O6/c15-9(6-13-10(16)8-2-1-4-20-8)14-12(11(17)18)3-5-19-7-12/h1-2,4H,3,5-7H2,(H,13,16)(H,14,15)(H,17,18)
InChIKeyIECICTPFPLGNSQ-UHFFFAOYSA-N
XLogP-0.63
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[[2-(furan-2-carbonylamino)acetyl]amino]cyclobutyl]acetic acid
CID 79849169
3-[[2-(3-aminophenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 65350121
1-(furan-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 43151464
3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 120688786
3-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]oxolane-3-carboxylic acid
CID 64888025
1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176363
3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid
CID 82962021
3-(pyridin-3-ylmethylcarbamoylamino)oxolane-3-carboxylic acid
CID 64890825
3-[[2-(4-nitrophenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 64888789
N-[2-oxo-2-(phenylmethoxyamino)ethyl]furan-2-carboxamide
CID 9227365
N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide
CID 2524355
N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide
CID 9293667

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(furan-2-carbonylamino)acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[2-(furan-2-carbonylamino)acetyl]amino]oxolane-3-carboxylic acid (CID 64887873) is 3-[[2-(furan-2-carbonylamino)acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[2-(furan-2-carbonylamino)acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[2-(furan-2-carbonylamino)acetyl]amino]oxolane-3-carboxylic acid is O=C(CNC(=O)c1ccco1)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[2-(furan-2-carbonylamino)acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is IECICTPFPLGNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6/c15-9(6-13-10(16)8-2-1-4-20-8)14-12(11(17)18)3-5-19-7-12/h1-2,4H,3,5-7H2,(H,13,16)(H,14,15)(H,17,18).
What are the key properties of 3-[[2-(furan-2-carbonylamino)acetyl]amino]oxolane-3-carboxylic acid?
3-[[2-(furan-2-carbonylamino)acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 282.25 g/mol, XLogP of -0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(furan-2-carbonylamino)acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64887873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).