2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid

C13H18N2O4 — CID 64618420

IUPAC2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
SMILESCc1ccc(CN(C)C(=O)N2CC(CC(=O)O)C2)o1
InChIInChI=1S/C13H18N2O4/c1-9-3-4-11(19-9)8-14(2)13(18)15-6-10(7-15)5-12(16)17/h3-4,10H,5-8H2,1-2H3,(H,16,17)
InChIKeyFHZDYRIYQWSYAO-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.55
Rot. Bonds4

About 2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid

2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid (PubChem CID 64618420) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
PubChem CID64618420
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
SMILESCc1ccc(CN(C)C(=O)N2CC(CC(=O)O)C2)o1
InChIInChI=1S/C13H18N2O4/c1-9-3-4-11(19-9)8-14(2)13(18)15-6-10(7-15)5-12(16)17/h3-4,10H,5-8H2,1-2H3,(H,16,17)
InChIKeyFHZDYRIYQWSYAO-UHFFFAOYSA-N
XLogP1.55
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66435031
2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]piperidin-2-yl]acetic acid
CID 61196959
2-[1-(5-methylfuran-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605801
1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197519
2-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
CID 64618242
(4R)-3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61197717
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxetane-3-carboxylic acid
CID 115185022
3-[cyclopropyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid
CID 61199412
3-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]sulfanylbutanoic acid
CID 66137138
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide
CID 81179940

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid (CID 64618420) is 2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid is Cc1ccc(CN(C)C(=O)N2CC(CC(=O)O)C2)o1.
What is the InChIKey of 2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is FHZDYRIYQWSYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-3-4-11(19-9)8-14(2)13(18)15-6-10(7-15)5-12(16)17/h3-4,10H,5-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid?
2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).