3-[3-[cyclopropyl(methyl)amino]azetidin-1-yl]propanoic acid

C10H18N2O2 — CID 83831530

IUPAC3-[3-[cyclopropyl(methyl)amino]azetidin-1-yl]propanoic acid
SMILESCN(C1CC1)C1CN(CCC(=O)O)C1
InChIInChI=1S/C10H18N2O2/c1-11(8-2-3-8)9-6-12(7-9)5-4-10(13)14/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyHMIYPJLOCDEBOI-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.24
Rot. Bonds5

About 3-[3-[cyclopropyl(methyl)amino]azetidin-1-yl]propanoic acid

3-[3-[cyclopropyl(methyl)amino]azetidin-1-yl]propanoic acid (PubChem CID 83831530) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-[3-[cyclopropyl(methyl)amino]azetidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-[cyclopropyl(methyl)amino]azetidin-1-yl]propanoic acid
PubChem CID83831530
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-[3-[cyclopropyl(methyl)amino]azetidin-1-yl]propanoic acid
SMILESCN(C1CC1)C1CN(CCC(=O)O)C1
InChIInChI=1S/C10H18N2O2/c1-11(8-2-3-8)9-6-12(7-9)5-4-10(13)14/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyHMIYPJLOCDEBOI-UHFFFAOYSA-N
XLogP0.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]acetic acid
CID 66568090
3-[3-(diethylamino)piperidin-1-yl]propanoic acid
CID 83840059
3-(3-aminoazetidin-1-yl)propanoic acid
CID 65249489
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoic acid
CID 7258532
N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid
CID 70625667
2-[4-[cyclopropyl(methyl)amino]cyclohexyl]acetic acid
CID 83835069
3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propanoic acid
CID 84765924
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
3-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 61189432
3-[methyl-[1-(3-methylbutyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004327
4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 83831391

Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclopropyl(methyl)amino]azetidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-[cyclopropyl(methyl)amino]azetidin-1-yl]propanoic acid (CID 83831530) is 3-[3-[cyclopropyl(methyl)amino]azetidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-[cyclopropyl(methyl)amino]azetidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-[cyclopropyl(methyl)amino]azetidin-1-yl]propanoic acid is CN(C1CC1)C1CN(CCC(=O)O)C1.
What is the InChIKey of 3-[3-[cyclopropyl(methyl)amino]azetidin-1-yl]propanoic acid?
The InChIKey is HMIYPJLOCDEBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-11(8-2-3-8)9-6-12(7-9)5-4-10(13)14/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-[3-[cyclopropyl(methyl)amino]azetidin-1-yl]propanoic acid?
3-[3-[cyclopropyl(methyl)amino]azetidin-1-yl]propanoic acid has a molecular weight of 198.27 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[cyclopropyl(methyl)amino]azetidin-1-yl]propanoic acid is sourced from PubChem (CID 83831530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).