5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]furan-2-carboxylic acid

C10H12N2O6 — CID 114162732

IUPAC5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]furan-2-carboxylic acid
SMILESNC(=O)COCCNC(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H12N2O6/c11-8(13)5-17-4-3-12-9(14)6-1-2-7(18-6)10(15)16/h1-2H,3-5H2,(H2,11,13)(H,12,14)(H,15,16)
InChIKeyDDVSCXKQWBQGFI-UHFFFAOYSA-N
MW256.21 g/mol
LogP-0.79
Rot. Bonds7

About 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]furan-2-carboxylic acid

5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]furan-2-carboxylic acid (PubChem CID 114162732) has the molecular formula C10H12N2O6 and a molecular weight of 256.21 g/mol. Its IUPAC name is 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]furan-2-carboxylic acid
PubChem CID114162732
Molecular FormulaC10H12N2O6
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Name5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]furan-2-carboxylic acid
SMILESNC(=O)COCCNC(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H12N2O6/c11-8(13)5-17-4-3-12-9(14)6-1-2-7(18-6)10(15)16/h1-2H,3-5H2,(H2,11,13)(H,12,14)(H,15,16)
InChIKeyDDVSCXKQWBQGFI-UHFFFAOYSA-N
XLogP-0.79
TPSA131.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(5-chlorofuran-2-carbonyl)amino]ethoxy]acetic acid
CID 79468837
3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic acid
CID 114162738
4-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 106238468
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylbenzamide
CID 106233435
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(4-cyanophenyl)acetamide
CID 103819854
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide
CID 106233330
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
CID 106240241
5-(2-propoxyacetyl)furan-2-carboxylic acid
CID 107944894
5-(pent-4-ynylcarbamoyl)furan-2-carboxylic acid
CID 106223158
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-hydroxypyridine-2-carboxamide
CID 103819834
2-[2-[[4-(aminomethyl)phenyl]carbamoylamino]ethoxy]acetamide
CID 106238550
N-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide
CID 113257998

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]furan-2-carboxylic acid (CID 114162732) is 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]furan-2-carboxylic acid is NC(=O)COCCNC(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]furan-2-carboxylic acid?
The InChIKey is DDVSCXKQWBQGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6/c11-8(13)5-17-4-3-12-9(14)6-1-2-7(18-6)10(15)16/h1-2H,3-5H2,(H2,11,13)(H,12,14)(H,15,16).
What are the key properties of 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]furan-2-carboxylic acid?
5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]furan-2-carboxylic acid has a molecular weight of 256.21 g/mol, XLogP of -0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 114162732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).