2-[(3,5-dimethylfuran-2-carbonyl)-propylamino]acetic acid

C12H17NO4 — CID 119205196

IUPAC2-[(3,5-dimethylfuran-2-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1oc(C)cc1C
InChIInChI=1S/C12H17NO4/c1-4-5-13(7-10(14)15)12(16)11-8(2)6-9(3)17-11/h6H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyKMVRTMBZWHUUGN-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.83
Rot. Bonds5

About 2-[(3,5-dimethylfuran-2-carbonyl)-propylamino]acetic acid

2-[(3,5-dimethylfuran-2-carbonyl)-propylamino]acetic acid (PubChem CID 119205196) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(3,5-dimethylfuran-2-carbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(3,5-dimethylfuran-2-carbonyl)-propylamino]acetic acid
PubChem CID119205196
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-[(3,5-dimethylfuran-2-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1oc(C)cc1C
InChIInChI=1S/C12H17NO4/c1-4-5-13(7-10(14)15)12(16)11-8(2)6-9(3)17-11/h6H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyKMVRTMBZWHUUGN-UHFFFAOYSA-N
XLogP1.83
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl-(3,5-dimethylfuran-2-carbonyl)amino]acetic acid
CID 119193590
3,5-dimethyl-N-piperidin-4-yl-N-propylfuran-2-carboxamide
CID 119823817
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
2-[(3-bromo-5-methylbenzoyl)-propylamino]acetic acid
CID 104850711
2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid
CID 54898860
2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid
CID 61011678
2-[(2-methylpyrazole-3-carbonyl)-propylamino]acetic acid
CID 61006717
2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61011942
2-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)-propylamino]acetic acid
CID 119205621
2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid
CID 61389348
2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61008916
2-[(2-iodo-3-methylbenzoyl)-propylamino]acetic acid
CID 113263220

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylfuran-2-carbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(3,5-dimethylfuran-2-carbonyl)-propylamino]acetic acid (CID 119205196) is 2-[(3,5-dimethylfuran-2-carbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(3,5-dimethylfuran-2-carbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(3,5-dimethylfuran-2-carbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1oc(C)cc1C.
What is the InChIKey of 2-[(3,5-dimethylfuran-2-carbonyl)-propylamino]acetic acid?
The InChIKey is KMVRTMBZWHUUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-4-5-13(7-10(14)15)12(16)11-8(2)6-9(3)17-11/h6H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of 2-[(3,5-dimethylfuran-2-carbonyl)-propylamino]acetic acid?
2-[(3,5-dimethylfuran-2-carbonyl)-propylamino]acetic acid has a molecular weight of 239.27 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylfuran-2-carbonyl)-propylamino]acetic acid is sourced from PubChem (CID 119205196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).