2-[(3-ethyloxetan-3-yl)amino]acetic acid

C7H13NO3 — CID 161271951

IUPAC2-[(3-ethyloxetan-3-yl)amino]acetic acid
SMILESCCC1(NCC(=O)O)COC1
InChIInChI=1S/C7H13NO3/c1-2-7(4-11-5-7)8-3-6(9)10/h8H,2-5H2,1H3,(H,9,10)
InChIKeyZLMQEKAIHIKQGB-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.16
Rot. Bonds4

About 2-[(3-ethyloxetan-3-yl)amino]acetic acid

2-[(3-ethyloxetan-3-yl)amino]acetic acid (PubChem CID 161271951) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-[(3-ethyloxetan-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethyloxetan-3-yl)amino]acetic acid
PubChem CID161271951
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-[(3-ethyloxetan-3-yl)amino]acetic acid
SMILESCCC1(NCC(=O)O)COC1
InChIInChI=1S/C7H13NO3/c1-2-7(4-11-5-7)8-3-6(9)10/h8H,2-5H2,1H3,(H,9,10)
InChIKeyZLMQEKAIHIKQGB-UHFFFAOYSA-N
XLogP-0.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyloxetan-3-yl)amino]acetic acid?
The IUPAC name of 2-[(3-ethyloxetan-3-yl)amino]acetic acid (CID 161271951) is 2-[(3-ethyloxetan-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[(3-ethyloxetan-3-yl)amino]acetic acid?
The canonical SMILES for 2-[(3-ethyloxetan-3-yl)amino]acetic acid is CCC1(NCC(=O)O)COC1.
What is the InChIKey of 2-[(3-ethyloxetan-3-yl)amino]acetic acid?
The InChIKey is ZLMQEKAIHIKQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-7(4-11-5-7)8-3-6(9)10/h8H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-[(3-ethyloxetan-3-yl)amino]acetic acid?
2-[(3-ethyloxetan-3-yl)amino]acetic acid has a molecular weight of 159.18 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyloxetan-3-yl)amino]acetic acid is sourced from PubChem (CID 161271951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).