3-[methyl(oxolan-2-ylmethyl)amino]propanoic acid

C9H17NO3 — CID 60986652

IUPAC3-[methyl(oxolan-2-ylmethyl)amino]propanoic acid
SMILESCN(CCC(=O)O)CC1CCCO1
InChIInChI=1S/C9H17NO3/c1-10(5-4-9(11)12)7-8-3-2-6-13-8/h8H,2-7H2,1H3,(H,11,12)
InChIKeyOHXHDUQQIKJNMH-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.57
Rot. Bonds5

About 3-[methyl(oxolan-2-ylmethyl)amino]propanoic acid

3-[methyl(oxolan-2-ylmethyl)amino]propanoic acid (PubChem CID 60986652) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-[methyl(oxolan-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(oxolan-2-ylmethyl)amino]propanoic acid
PubChem CID60986652
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-[methyl(oxolan-2-ylmethyl)amino]propanoic acid
SMILESCN(CCC(=O)O)CC1CCCO1
InChIInChI=1S/C9H17NO3/c1-10(5-4-9(11)12)7-8-3-2-6-13-8/h8H,2-7H2,1H3,(H,11,12)
InChIKeyOHXHDUQQIKJNMH-UHFFFAOYSA-N
XLogP0.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxolan-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(oxolan-2-ylmethyl)amino]propanoic acid (CID 60986652) is 3-[methyl(oxolan-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(oxolan-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(oxolan-2-ylmethyl)amino]propanoic acid is CN(CCC(=O)O)CC1CCCO1.
What is the InChIKey of 3-[methyl(oxolan-2-ylmethyl)amino]propanoic acid?
The InChIKey is OHXHDUQQIKJNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-10(5-4-9(11)12)7-8-3-2-6-13-8/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 3-[methyl(oxolan-2-ylmethyl)amino]propanoic acid?
3-[methyl(oxolan-2-ylmethyl)amino]propanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxolan-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 60986652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).