2-[1-[2-[furan-3-ylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

C15H21NO4 — CID 61422945

IUPAC2-[1-[2-[furan-3-ylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCN(Cc1ccoc1)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H21NO4/c1-16(10-12-4-7-20-11-12)13(17)8-15(9-14(18)19)5-2-3-6-15/h4,7,11H,2-3,5-6,8-10H2,1H3,(H,18,19)
InChIKeyXIIGLDKSTDIVKE-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.66
Rot. Bonds6

About 2-[1-[2-[furan-3-ylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[furan-3-ylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61422945) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[1-[2-[furan-3-ylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[furan-3-ylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61422945
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[1-[2-[furan-3-ylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCN(Cc1ccoc1)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H21NO4/c1-16(10-12-4-7-20-11-12)13(17)8-15(9-14(18)19)5-2-3-6-15/h4,7,11H,2-3,5-6,8-10H2,1H3,(H,18,19)
InChIKeyXIIGLDKSTDIVKE-UHFFFAOYSA-N
XLogP2.66
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid
CID 65240642
N-(furan-3-ylmethyl)-N,3-dimethylbutanamide
CID 110868913
N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide
CID 110868951
2-ethoxy-N-(furan-3-ylmethyl)-N-methylacetamide
CID 61216289
2-[1-[2-(N-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 61070370
2-[1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 64512570
2-[1-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071498
1-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451347
5-chloro-N-(furan-3-ylmethyl)-N-methylpentanamide
CID 61422456
1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea
CID 54330793
4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498062
3-(ethylamino)-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 62834996

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[furan-3-ylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[furan-3-ylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 61422945) is 2-[1-[2-[furan-3-ylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[furan-3-ylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[furan-3-ylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is CN(Cc1ccoc1)C(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[furan-3-ylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is XIIGLDKSTDIVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-16(10-12-4-7-20-11-12)13(17)8-15(9-14(18)19)5-2-3-6-15/h4,7,11H,2-3,5-6,8-10H2,1H3,(H,18,19).
What are the key properties of 2-[1-[2-[furan-3-ylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[furan-3-ylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[furan-3-ylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61422945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).