2-[bis(oxiran-2-ylmethyl)amino]acetic acid

C8H13NO4 — CID 19695060

IUPAC2-[bis(oxiran-2-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CO1)CC1CO1
InChIInChI=1S/C8H13NO4/c10-8(11)3-9(1-6-4-12-6)2-7-5-13-7/h6-7H,1-5H2,(H,10,11)
InChIKeyCHLNTNCJZHAFOB-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.83
Rot. Bonds6

About 2-[bis(oxiran-2-ylmethyl)amino]acetic acid

2-[bis(oxiran-2-ylmethyl)amino]acetic acid (PubChem CID 19695060) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-[bis(oxiran-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[bis(oxiran-2-ylmethyl)amino]acetic acid
PubChem CID19695060
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-[bis(oxiran-2-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CO1)CC1CO1
InChIInChI=1S/C8H13NO4/c10-8(11)3-9(1-6-4-12-6)2-7-5-13-7/h6-7H,1-5H2,(H,10,11)
InChIKeyCHLNTNCJZHAFOB-UHFFFAOYSA-N
XLogP-0.83
TPSA65.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(oxiran-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[bis(oxiran-2-ylmethyl)amino]acetic acid (CID 19695060) is 2-[bis(oxiran-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[bis(oxiran-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[bis(oxiran-2-ylmethyl)amino]acetic acid is O=C(O)CN(CC1CO1)CC1CO1.
What is the InChIKey of 2-[bis(oxiran-2-ylmethyl)amino]acetic acid?
The InChIKey is CHLNTNCJZHAFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c10-8(11)3-9(1-6-4-12-6)2-7-5-13-7/h6-7H,1-5H2,(H,10,11).
What are the key properties of 2-[bis(oxiran-2-ylmethyl)amino]acetic acid?
2-[bis(oxiran-2-ylmethyl)amino]acetic acid has a molecular weight of 187.19 g/mol, XLogP of -0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(oxiran-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 19695060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).