2,2-dimethyl-3-[(propan-2-yloxyamino)methylidene]cyclopropane-1-carboxylic acid

C10H17NO3 — CID 56630284

IUPAC2,2-dimethyl-3-[(propan-2-yloxyamino)methylidene]cyclopropane-1-carboxylic acid
SMILESCC(C)ONC=C1C(C(=O)O)C1(C)C
InChIInChI=1S/C10H17NO3/c1-6(2)14-11-5-7-8(9(12)13)10(7,3)4/h5-6,8,11H,1-4H3,(H,12,13)
InChIKeyHLSVZJCPIIXQLC-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.54
Rot. Bonds4

About 2,2-dimethyl-3-[(propan-2-yloxyamino)methylidene]cyclopropane-1-carboxylic acid

2,2-dimethyl-3-[(propan-2-yloxyamino)methylidene]cyclopropane-1-carboxylic acid (PubChem CID 56630284) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(propan-2-yloxyamino)methylidene]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(propan-2-yloxyamino)methylidene]cyclopropane-1-carboxylic acid
PubChem CID56630284
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2,2-dimethyl-3-[(propan-2-yloxyamino)methylidene]cyclopropane-1-carboxylic acid
SMILESCC(C)ONC=C1C(C(=O)O)C1(C)C
InChIInChI=1S/C10H17NO3/c1-6(2)14-11-5-7-8(9(12)13)10(7,3)4/h5-6,8,11H,1-4H3,(H,12,13)
InChIKeyHLSVZJCPIIXQLC-UHFFFAOYSA-N
XLogP1.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2,2-dimethyl-3-[(propan-2-yloxyamino)methylidene]cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-[(propan-2-yloxyamino)methylidene]cyclopropane-1-carboxylic acid (CID 56630284) is 2,2-dimethyl-3-[(propan-2-yloxyamino)methylidene]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(propan-2-yloxyamino)methylidene]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-[(propan-2-yloxyamino)methylidene]cyclopropane-1-carboxylic acid is CC(C)ONC=C1C(C(=O)O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-[(propan-2-yloxyamino)methylidene]cyclopropane-1-carboxylic acid?
The InChIKey is HLSVZJCPIIXQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6(2)14-11-5-7-8(9(12)13)10(7,3)4/h5-6,8,11H,1-4H3,(H,12,13).
What are the key properties of 2,2-dimethyl-3-[(propan-2-yloxyamino)methylidene]cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-[(propan-2-yloxyamino)methylidene]cyclopropane-1-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(propan-2-yloxyamino)methylidene]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 56630284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).