2-cyclopropyl-2-(ethoxyamino)acetic acid

C7H13NO3 — CID 103254508

IUPAC2-cyclopropyl-2-(ethoxyamino)acetic acid
SMILESCCONC(C(=O)O)C1CC1
InChIInChI=1S/C7H13NO3/c1-2-11-8-6(7(9)10)5-3-4-5/h5-6,8H,2-4H2,1H3,(H,9,10)
InChIKeyMSUBZFUWZLLPHC-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.39
Rot. Bonds5

About 2-cyclopropyl-2-(ethoxyamino)acetic acid

2-cyclopropyl-2-(ethoxyamino)acetic acid (PubChem CID 103254508) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethoxyamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethoxyamino)acetic acid
PubChem CID103254508
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-cyclopropyl-2-(ethoxyamino)acetic acid
SMILESCCONC(C(=O)O)C1CC1
InChIInChI=1S/C7H13NO3/c1-2-11-8-6(7(9)10)5-3-4-5/h5-6,8H,2-4H2,1H3,(H,9,10)
InChIKeyMSUBZFUWZLLPHC-UHFFFAOYSA-N
XLogP0.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-2-(ethoxyamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethoxyamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(ethoxyamino)acetic acid (CID 103254508) is 2-cyclopropyl-2-(ethoxyamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(ethoxyamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(ethoxyamino)acetic acid is CCONC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethoxyamino)acetic acid?
The InChIKey is MSUBZFUWZLLPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-11-8-6(7(9)10)5-3-4-5/h5-6,8H,2-4H2,1H3,(H,9,10).
What are the key properties of 2-cyclopropyl-2-(ethoxyamino)acetic acid?
2-cyclopropyl-2-(ethoxyamino)acetic acid has a molecular weight of 159.18 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethoxyamino)acetic acid is sourced from PubChem (CID 103254508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).