2-[1-[2-[furan-2-carbonyl(methyl)amino]acetyl]azetidin-3-yl]acetic acid

C13H16N2O5 — CID 64603352

IUPAC2-[1-[2-[furan-2-carbonyl(methyl)amino]acetyl]azetidin-3-yl]acetic acid
SMILESCN(CC(=O)N1CC(CC(=O)O)C1)C(=O)c1ccco1
InChIInChI=1S/C13H16N2O5/c1-14(13(19)10-3-2-4-20-10)8-11(16)15-6-9(7-15)5-12(17)18/h2-4,9H,5-8H2,1H3,(H,17,18)
InChIKeyLEUWLAKOFCEWHE-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.28
Rot. Bonds5

About 2-[1-[2-[furan-2-carbonyl(methyl)amino]acetyl]azetidin-3-yl]acetic acid

2-[1-[2-[furan-2-carbonyl(methyl)amino]acetyl]azetidin-3-yl]acetic acid (PubChem CID 64603352) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[1-[2-[furan-2-carbonyl(methyl)amino]acetyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[furan-2-carbonyl(methyl)amino]acetyl]azetidin-3-yl]acetic acid
PubChem CID64603352
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-[1-[2-[furan-2-carbonyl(methyl)amino]acetyl]azetidin-3-yl]acetic acid
SMILESCN(CC(=O)N1CC(CC(=O)O)C1)C(=O)c1ccco1
InChIInChI=1S/C13H16N2O5/c1-14(13(19)10-3-2-4-20-10)8-11(16)15-6-9(7-15)5-12(17)18/h2-4,9H,5-8H2,1H3,(H,17,18)
InChIKeyLEUWLAKOFCEWHE-UHFFFAOYSA-N
XLogP0.28
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 60715665
1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 43354178
2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605217
1-[2-[furan-2-carbonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146805
2-[furan-2-carbonyl(methyl)amino]acetate
CID 6943452
2-[1-[2-[(5-bromofuran-2-carbonyl)-methylamino]acetyl]piperidin-4-yl]acetic acid
CID 119178133
N-methyl-N-(2-methylprop-2-enyl)furan-2-carboxamide
CID 115968439
3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 43170664
methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344
N-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide
CID 76928863
N-methyl-N-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]furan-2-carboxamide
CID 94635248
N-[2-(ethoxyamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 47149757

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[furan-2-carbonyl(methyl)amino]acetyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-[furan-2-carbonyl(methyl)amino]acetyl]azetidin-3-yl]acetic acid (CID 64603352) is 2-[1-[2-[furan-2-carbonyl(methyl)amino]acetyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-[furan-2-carbonyl(methyl)amino]acetyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-[furan-2-carbonyl(methyl)amino]acetyl]azetidin-3-yl]acetic acid is CN(CC(=O)N1CC(CC(=O)O)C1)C(=O)c1ccco1.
What is the InChIKey of 2-[1-[2-[furan-2-carbonyl(methyl)amino]acetyl]azetidin-3-yl]acetic acid?
The InChIKey is LEUWLAKOFCEWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-14(13(19)10-3-2-4-20-10)8-11(16)15-6-9(7-15)5-12(17)18/h2-4,9H,5-8H2,1H3,(H,17,18).
What are the key properties of 2-[1-[2-[furan-2-carbonyl(methyl)amino]acetyl]azetidin-3-yl]acetic acid?
2-[1-[2-[furan-2-carbonyl(methyl)amino]acetyl]azetidin-3-yl]acetic acid has a molecular weight of 280.28 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[furan-2-carbonyl(methyl)amino]acetyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64603352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).