3-cyclopropyl-3-[2-hydroxyethyl(methyl)amino]propanoic acid

C9H17NO3 — CID 83817691

IUPAC3-cyclopropyl-3-[2-hydroxyethyl(methyl)amino]propanoic acid
SMILESCN(CCO)C(CC(=O)O)C1CC1
InChIInChI=1S/C9H17NO3/c1-10(4-5-11)8(6-9(12)13)7-2-3-7/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyYMFMDXZOJTZAOF-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.16
Rot. Bonds6

About 3-cyclopropyl-3-[2-hydroxyethyl(methyl)amino]propanoic acid

3-cyclopropyl-3-[2-hydroxyethyl(methyl)amino]propanoic acid (PubChem CID 83817691) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-cyclopropyl-3-[2-hydroxyethyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[2-hydroxyethyl(methyl)amino]propanoic acid
PubChem CID83817691
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-cyclopropyl-3-[2-hydroxyethyl(methyl)amino]propanoic acid
SMILESCN(CCO)C(CC(=O)O)C1CC1
InChIInChI=1S/C9H17NO3/c1-10(4-5-11)8(6-9(12)13)7-2-3-7/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyYMFMDXZOJTZAOF-UHFFFAOYSA-N
XLogP0.16
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[2-hydroxyethyl(methyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[2-hydroxyethyl(methyl)amino]propanoic acid (CID 83817691) is 3-cyclopropyl-3-[2-hydroxyethyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[2-hydroxyethyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[2-hydroxyethyl(methyl)amino]propanoic acid is CN(CCO)C(CC(=O)O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[2-hydroxyethyl(methyl)amino]propanoic acid?
The InChIKey is YMFMDXZOJTZAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-10(4-5-11)8(6-9(12)13)7-2-3-7/h7-8,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 3-cyclopropyl-3-[2-hydroxyethyl(methyl)amino]propanoic acid?
3-cyclopropyl-3-[2-hydroxyethyl(methyl)amino]propanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[2-hydroxyethyl(methyl)amino]propanoic acid is sourced from PubChem (CID 83817691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).