2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]acetic acid

C11H19N3O4 — CID 106917190

IUPAC2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]acetic acid
SMILESCNC(=O)CCN(C)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C11H19N3O4/c1-12-9(15)3-4-13(2)11(18)14-6-8(7-14)5-10(16)17/h8H,3-7H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyOTSYKVGCVZJABD-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.42
Rot. Bonds5

About 2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]acetic acid

2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]acetic acid (PubChem CID 106917190) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]acetic acid
PubChem CID106917190
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]acetic acid
SMILESCNC(=O)CCN(C)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C11H19N3O4/c1-12-9(15)3-4-13(2)11(18)14-6-8(7-14)5-10(16)17/h8H,3-7H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyOTSYKVGCVZJABD-UHFFFAOYSA-N
XLogP-0.42
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid
CID 106917160
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-methylamino]propanoic acid
CID 79181416
2-[3-methyl-1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]oxyacetic acid
CID 106917169
2-[4-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 106917007
2-[1-[2-(dimethylamino)propylcarbamoyl]azetidin-3-yl]acetic acid
CID 64616867
2-[1-[methyl-[2-(methylamino)ethyl]carbamoyl]piperidin-4-yl]acetic acid
CID 79605780
2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
CID 79320053
1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984113
2-[8-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79610849
2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
CID 64618420
2-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
CID 64618242
2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 106914932

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]acetic acid (CID 106917190) is 2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]acetic acid is CNC(=O)CCN(C)C(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is OTSYKVGCVZJABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-12-9(15)3-4-13(2)11(18)14-6-8(7-14)5-10(16)17/h8H,3-7H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]acetic acid?
2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 257.29 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 106917190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).