3-[cyclopropyl(oxetan-3-yl)amino]butanoic acid

C10H17NO3 — CID 83819138

IUPAC3-[cyclopropyl(oxetan-3-yl)amino]butanoic acid
SMILESCC(CC(=O)O)N(C1CC1)C1COC1
InChIInChI=1S/C10H17NO3/c1-7(4-10(12)13)11(8-2-3-8)9-5-14-6-9/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyLNAIZTZFIXRQSL-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.71
Rot. Bonds5

About 3-[cyclopropyl(oxetan-3-yl)amino]butanoic acid

3-[cyclopropyl(oxetan-3-yl)amino]butanoic acid (PubChem CID 83819138) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-[cyclopropyl(oxetan-3-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(oxetan-3-yl)amino]butanoic acid
PubChem CID83819138
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-[cyclopropyl(oxetan-3-yl)amino]butanoic acid
SMILESCC(CC(=O)O)N(C1CC1)C1COC1
InChIInChI=1S/C10H17NO3/c1-7(4-10(12)13)11(8-2-3-8)9-5-14-6-9/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyLNAIZTZFIXRQSL-UHFFFAOYSA-N
XLogP0.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(oxetan-3-yl)amino]butanoic acid?
The IUPAC name of 3-[cyclopropyl(oxetan-3-yl)amino]butanoic acid (CID 83819138) is 3-[cyclopropyl(oxetan-3-yl)amino]butanoic acid.
What is the SMILES notation for 3-[cyclopropyl(oxetan-3-yl)amino]butanoic acid?
The canonical SMILES for 3-[cyclopropyl(oxetan-3-yl)amino]butanoic acid is CC(CC(=O)O)N(C1CC1)C1COC1.
What is the InChIKey of 3-[cyclopropyl(oxetan-3-yl)amino]butanoic acid?
The InChIKey is LNAIZTZFIXRQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(4-10(12)13)11(8-2-3-8)9-5-14-6-9/h7-9H,2-6H2,1H3,(H,12,13).
What are the key properties of 3-[cyclopropyl(oxetan-3-yl)amino]butanoic acid?
3-[cyclopropyl(oxetan-3-yl)amino]butanoic acid has a molecular weight of 199.25 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(oxetan-3-yl)amino]butanoic acid is sourced from PubChem (CID 83819138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).