3-[3-hydroxypropyl(methyl)amino]azetidine-1-carboxylic acid

C8H16N2O3 — CID 175339659

IUPAC3-[3-hydroxypropyl(methyl)amino]azetidine-1-carboxylic acid
SMILESCN(CCCO)C1CN(C(=O)O)C1
InChIInChI=1S/C8H16N2O3/c1-9(3-2-4-11)7-5-10(6-7)8(12)13/h7,11H,2-6H2,1H3,(H,12,13)
InChIKeyPANAHWDHWAUEOR-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.34
Rot. Bonds4

About 3-[3-hydroxypropyl(methyl)amino]azetidine-1-carboxylic acid

3-[3-hydroxypropyl(methyl)amino]azetidine-1-carboxylic acid (PubChem CID 175339659) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-[3-hydroxypropyl(methyl)amino]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[3-hydroxypropyl(methyl)amino]azetidine-1-carboxylic acid
PubChem CID175339659
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name3-[3-hydroxypropyl(methyl)amino]azetidine-1-carboxylic acid
SMILESCN(CCCO)C1CN(C(=O)O)C1
InChIInChI=1S/C8H16N2O3/c1-9(3-2-4-11)7-5-10(6-7)8(12)13/h7,11H,2-6H2,1H3,(H,12,13)
InChIKeyPANAHWDHWAUEOR-UHFFFAOYSA-N
XLogP-0.34
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxypropyl(methyl)amino]azetidine-1-carboxylic acid?
The IUPAC name of 3-[3-hydroxypropyl(methyl)amino]azetidine-1-carboxylic acid (CID 175339659) is 3-[3-hydroxypropyl(methyl)amino]azetidine-1-carboxylic acid.
What is the SMILES notation for 3-[3-hydroxypropyl(methyl)amino]azetidine-1-carboxylic acid?
The canonical SMILES for 3-[3-hydroxypropyl(methyl)amino]azetidine-1-carboxylic acid is CN(CCCO)C1CN(C(=O)O)C1.
What is the InChIKey of 3-[3-hydroxypropyl(methyl)amino]azetidine-1-carboxylic acid?
The InChIKey is PANAHWDHWAUEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-9(3-2-4-11)7-5-10(6-7)8(12)13/h7,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 3-[3-hydroxypropyl(methyl)amino]azetidine-1-carboxylic acid?
3-[3-hydroxypropyl(methyl)amino]azetidine-1-carboxylic acid has a molecular weight of 188.23 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxypropyl(methyl)amino]azetidine-1-carboxylic acid is sourced from PubChem (CID 175339659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).