2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid

C12H17NO4 — CID 54898860

IUPAC2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1ccc(CC)o1
InChIInChI=1S/C12H17NO4/c1-3-7-13(8-11(14)15)12(16)10-6-5-9(4-2)17-10/h5-6H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyUESJTERQGDMKEY-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.78
Rot. Bonds6

About 2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid

2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid (PubChem CID 54898860) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid
PubChem CID54898860
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1ccc(CC)o1
InChIInChI=1S/C12H17NO4/c1-3-7-13(8-11(14)15)12(16)10-6-5-9(4-2)17-10/h5-6H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyUESJTERQGDMKEY-UHFFFAOYSA-N
XLogP1.78
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-(diethylaminomethyl)furan-2-carbonyl]-propylamino]acetic acid
CID 61013161
2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid
CID 60829213
N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide
CID 115771226
5-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 106610374
2-[(5-ethylfuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 119211315
N-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide
CID 79084049
2-(4-chloro-N-(5-ethylfuran-2-carbonyl)anilino)acetic acid
CID 60825317
N-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
CID 78883229
tert-butyl 2-[2-(dimethylamino)ethyl-(5-ethylfuran-2-carbonyl)amino]acetate
CID 52842611
5-amino-N,N-dipropylfuran-2-carboxamide
CID 82344196
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
1-(5-ethylfuran-2-yl)butan-1-one
CID 62344781

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid (CID 54898860) is 2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1ccc(CC)o1.
What is the InChIKey of 2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid?
The InChIKey is UESJTERQGDMKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-7-13(8-11(14)15)12(16)10-6-5-9(4-2)17-10/h5-6H,3-4,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid?
2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid has a molecular weight of 239.27 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid is sourced from PubChem (CID 54898860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).