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

C10H19NO3 — CID 61431998

IUPAC3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid
SMILESCC(CC(=O)O)N(C)CC1CCCO1
InChIInChI=1S/C10H19NO3/c1-8(6-10(12)13)11(2)7-9-4-3-5-14-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyDBSQDPDCYHJZTI-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.96
Rot. Bonds5

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

3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid (PubChem CID 61431998) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid
PubChem CID61431998
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid
SMILESCC(CC(=O)O)N(C)CC1CCCO1
InChIInChI=1S/C10H19NO3/c1-8(6-10(12)13)11(2)7-9-4-3-5-14-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyDBSQDPDCYHJZTI-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.96
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]butanoic acid?
The IUPAC name of 3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid (CID 61431998) is 3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid.
What is the SMILES notation for 3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid?
The canonical SMILES for 3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid is CC(CC(=O)O)N(C)CC1CCCO1.
What is the InChIKey of 3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid?
The InChIKey is DBSQDPDCYHJZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(6-10(12)13)11(2)7-9-4-3-5-14-9/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid?
3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.96, 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]butanoic acid is sourced from PubChem (CID 61431998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).