2-[2-(azetidin-3-yl)propanoyl-methylamino]propanoic acid

C10H18N2O3 — CID 116677692

IUPAC2-[2-(azetidin-3-yl)propanoyl-methylamino]propanoic acid
SMILESCC(C(=O)N(C)C(C)C(=O)O)C1CNC1
InChIInChI=1S/C10H18N2O3/c1-6(8-4-11-5-8)9(13)12(3)7(2)10(14)15/h6-8,11H,4-5H2,1-3H3,(H,14,15)
InChIKeyTXUHILROKDKURS-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.23
Rot. Bonds4

About 2-[2-(azetidin-3-yl)propanoyl-methylamino]propanoic acid

2-[2-(azetidin-3-yl)propanoyl-methylamino]propanoic acid (PubChem CID 116677692) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[2-(azetidin-3-yl)propanoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-(azetidin-3-yl)propanoyl-methylamino]propanoic acid
PubChem CID116677692
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[2-(azetidin-3-yl)propanoyl-methylamino]propanoic acid
SMILESCC(C(=O)N(C)C(C)C(=O)O)C1CNC1
InChIInChI=1S/C10H18N2O3/c1-6(8-4-11-5-8)9(13)12(3)7(2)10(14)15/h6-8,11H,4-5H2,1-3H3,(H,14,15)
InChIKeyTXUHILROKDKURS-UHFFFAOYSA-N
XLogP-0.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-methyl-N-pentan-2-ylpropanamide
CID 116674919
2-(azetidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide
CID 116676248
2-(azetidin-3-yl)-N-butan-2-yl-N-ethylpropanamide
CID 116674787
2-(azetidin-3-yl)-N-methyl-N-(4-methylcyclohexyl)propanamide
CID 116676307
2-[1-[2-(azetidin-3-yl)propanoyl-methylamino]cyclohexyl]acetic acid
CID 116678184
2-[2-aminopropanoyl(methyl)amino]propanoic acid
CID 62637086
2-(azetidin-3-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 116678990
2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid
CID 116677711
2-[2-(azetidin-3-yl)propanoylamino]propanoic acid
CID 116676916
2-(azetidin-3-yl)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 116674963
2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid
CID 103500513
2-(azetidin-3-yl)-N-(2-ethoxyethyl)-N-ethylpropanamide
CID 116677912

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azetidin-3-yl)propanoyl-methylamino]propanoic acid?
The IUPAC name of 2-[2-(azetidin-3-yl)propanoyl-methylamino]propanoic acid (CID 116677692) is 2-[2-(azetidin-3-yl)propanoyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[2-(azetidin-3-yl)propanoyl-methylamino]propanoic acid?
The canonical SMILES for 2-[2-(azetidin-3-yl)propanoyl-methylamino]propanoic acid is CC(C(=O)N(C)C(C)C(=O)O)C1CNC1.
What is the InChIKey of 2-[2-(azetidin-3-yl)propanoyl-methylamino]propanoic acid?
The InChIKey is TXUHILROKDKURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6(8-4-11-5-8)9(13)12(3)7(2)10(14)15/h6-8,11H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-[2-(azetidin-3-yl)propanoyl-methylamino]propanoic acid?
2-[2-(azetidin-3-yl)propanoyl-methylamino]propanoic acid has a molecular weight of 214.26 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azetidin-3-yl)propanoyl-methylamino]propanoic acid is sourced from PubChem (CID 116677692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).