N-methoxymethanamine;1-propan-2-ylazetidine-3-carboxylic acid

C9H20N2O3 — CID 91539702

IUPACN-methoxymethanamine;1-propan-2-ylazetidine-3-carboxylic acid
SMILESCC(C)N1CC(C(=O)O)C1.CNOC
InChIInChI=1S/C7H13NO2.C2H7NO/c1-5(2)8-3-6(4-8)7(9)10;1-3-4-2/h5-6H,3-4H2,1-2H3,(H,9,10);3H,1-2H3
InChIKeyPLHMMMXPNBVOJC-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.18
Rot. Bonds3

About N-methoxymethanamine;1-propan-2-ylazetidine-3-carboxylic acid

N-methoxymethanamine;1-propan-2-ylazetidine-3-carboxylic acid (PubChem CID 91539702) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is N-methoxymethanamine;1-propan-2-ylazetidine-3-carboxylic acid.

Molecular Properties

Compound NameN-methoxymethanamine;1-propan-2-ylazetidine-3-carboxylic acid
PubChem CID91539702
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC NameN-methoxymethanamine;1-propan-2-ylazetidine-3-carboxylic acid
SMILESCC(C)N1CC(C(=O)O)C1.CNOC
InChIInChI=1S/C7H13NO2.C2H7NO/c1-5(2)8-3-6(4-8)7(9)10;1-3-4-2/h5-6H,3-4H2,1-2H3,(H,9,10);3H,1-2H3
InChIKeyPLHMMMXPNBVOJC-UHFFFAOYSA-N
XLogP0.18
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxymethanamine;1-propan-2-ylazetidine-3-carboxylic acid?
The IUPAC name of N-methoxymethanamine;1-propan-2-ylazetidine-3-carboxylic acid (CID 91539702) is N-methoxymethanamine;1-propan-2-ylazetidine-3-carboxylic acid.
What is the SMILES notation for N-methoxymethanamine;1-propan-2-ylazetidine-3-carboxylic acid?
The canonical SMILES for N-methoxymethanamine;1-propan-2-ylazetidine-3-carboxylic acid is CC(C)N1CC(C(=O)O)C1.CNOC.
What is the InChIKey of N-methoxymethanamine;1-propan-2-ylazetidine-3-carboxylic acid?
The InChIKey is PLHMMMXPNBVOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C2H7NO/c1-5(2)8-3-6(4-8)7(9)10;1-3-4-2/h5-6H,3-4H2,1-2H3,(H,9,10);3H,1-2H3.
What are the key properties of N-methoxymethanamine;1-propan-2-ylazetidine-3-carboxylic acid?
N-methoxymethanamine;1-propan-2-ylazetidine-3-carboxylic acid has a molecular weight of 204.27 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxymethanamine;1-propan-2-ylazetidine-3-carboxylic acid is sourced from PubChem (CID 91539702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).