N-ethyloxetan-3-amine;oxalic acid

C7H13NO5 — CID 118996693

IUPACN-ethyloxetan-3-amine;oxalic acid
SMILESCCNC1COC1.O=C(O)C(=O)O
InChIInChI=1S/C5H11NO.C2H2O4/c1-2-6-5-3-7-4-5;3-1(4)2(5)6/h5-6H,2-4H2,1H3;(H,3,4)(H,5,6)
InChIKeyBNKGSPQQAGPKBR-UHFFFAOYSA-N
MW191.18 g/mol
LogP-0.85
Rot. Bonds2

About N-ethyloxetan-3-amine;oxalic acid

N-ethyloxetan-3-amine;oxalic acid (PubChem CID 118996693) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is N-ethyloxetan-3-amine;oxalic acid.

Molecular Properties

Compound NameN-ethyloxetan-3-amine;oxalic acid
PubChem CID118996693
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC NameN-ethyloxetan-3-amine;oxalic acid
SMILESCCNC1COC1.O=C(O)C(=O)O
InChIInChI=1S/C5H11NO.C2H2O4/c1-2-6-5-3-7-4-5;3-1(4)2(5)6/h5-6H,2-4H2,1H3;(H,3,4)(H,5,6)
InChIKeyBNKGSPQQAGPKBR-UHFFFAOYSA-N
XLogP-0.85
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyloxetan-3-amine;oxalic acid?
The IUPAC name of N-ethyloxetan-3-amine;oxalic acid (CID 118996693) is N-ethyloxetan-3-amine;oxalic acid.
What is the SMILES notation for N-ethyloxetan-3-amine;oxalic acid?
The canonical SMILES for N-ethyloxetan-3-amine;oxalic acid is CCNC1COC1.O=C(O)C(=O)O.
What is the InChIKey of N-ethyloxetan-3-amine;oxalic acid?
The InChIKey is BNKGSPQQAGPKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2H2O4/c1-2-6-5-3-7-4-5;3-1(4)2(5)6/h5-6H,2-4H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-ethyloxetan-3-amine;oxalic acid?
N-ethyloxetan-3-amine;oxalic acid has a molecular weight of 191.18 g/mol, XLogP of -0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyloxetan-3-amine;oxalic acid is sourced from PubChem (CID 118996693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).