2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid

C11H14N2O6 — CID 55246325

IUPAC2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid
SMILESCC(NC(=O)N(CC(=O)O)CC(=O)O)c1ccco1
InChIInChI=1S/C11H14N2O6/c1-7(8-3-2-4-19-8)12-11(18)13(5-9(14)15)6-10(16)17/h2-4,7H,5-6H2,1H3,(H,12,18)(H,14,15)(H,16,17)
InChIKeyYXNKTNATUQTJMC-UHFFFAOYSA-N
MW270.24 g/mol
LogP0.52
Rot. Bonds6

About 2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid

2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid (PubChem CID 55246325) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid
PubChem CID55246325
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid
SMILESCC(NC(=O)N(CC(=O)O)CC(=O)O)c1ccco1
InChIInChI=1S/C11H14N2O6/c1-7(8-3-2-4-19-8)12-11(18)13(5-9(14)15)6-10(16)17/h2-4,7H,5-6H2,1H3,(H,12,18)(H,14,15)(H,16,17)
InChIKeyYXNKTNATUQTJMC-UHFFFAOYSA-N
XLogP0.52
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid
CID 43442423
1-benzyl-3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)urea
CID 110895092
2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79275070
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656
3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424113
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 81408914
3-[1-(furan-2-yl)ethyl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 86880553
2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61199815
2-[2-methylpropyl(1-phenylethylcarbamoyl)amino]acetic acid
CID 63064367
2,2-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 103515903
3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide
CID 81400789

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid (CID 55246325) is 2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid is CC(NC(=O)N(CC(=O)O)CC(=O)O)c1ccco1.
What is the InChIKey of 2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid?
The InChIKey is YXNKTNATUQTJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6/c1-7(8-3-2-4-19-8)12-11(18)13(5-9(14)15)6-10(16)17/h2-4,7H,5-6H2,1H3,(H,12,18)(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid?
2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid has a molecular weight of 270.24 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 55246325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).