2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid

C12H16N2O4 — CID 64618280

IUPAC2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(CC(=O)NCc2ccco2)C1
InChIInChI=1S/C12H16N2O4/c15-11(13-5-10-2-1-3-18-10)8-14-6-9(7-14)4-12(16)17/h1-3,9H,4-8H2,(H,13,15)(H,16,17)
InChIKeyJNHRRCGMWNGHTB-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.30
Rot. Bonds6

About 2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid

2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid (PubChem CID 64618280) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
PubChem CID64618280
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(CC(=O)NCc2ccco2)C1
InChIInChI=1S/C12H16N2O4/c15-11(13-5-10-2-1-3-18-10)8-14-6-9(7-14)4-12(16)17/h1-3,9H,4-8H2,(H,13,15)(H,16,17)
InChIKeyJNHRRCGMWNGHTB-UHFFFAOYSA-N
XLogP0.30
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 115301905
2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616915
2-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 6468198
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
N-(furan-2-ylmethyl)-2-pyrrol-1-ylacetamide
CID 110688542
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139
2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126
N-(furan-2-ylmethyl)-2-[4-(phenoxymethyl)piperidin-1-yl]acetamide
CID 60573051
N-(furan-2-ylmethyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773300
2-(4-ethoxypiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 52728905

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid (CID 64618280) is 2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(CC(=O)NCc2ccco2)C1.
What is the InChIKey of 2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid?
The InChIKey is JNHRRCGMWNGHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-11(13-5-10-2-1-3-18-10)8-14-6-9(7-14)4-12(16)17/h1-3,9H,4-8H2,(H,13,15)(H,16,17).
What are the key properties of 2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid?
2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).