2-(3-methylbutan-2-ylamino)cyclobutane-1-carboxylic acid

C10H19NO2 — CID 103230437

IUPAC2-(3-methylbutan-2-ylamino)cyclobutane-1-carboxylic acid
SMILESCC(C)C(C)NC1CCC1C(=O)O
InChIInChI=1S/C10H19NO2/c1-6(2)7(3)11-9-5-4-8(9)10(12)13/h6-9,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyMWDGJHURWHEBCE-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.48
Rot. Bonds4

About 2-(3-methylbutan-2-ylamino)cyclobutane-1-carboxylic acid

2-(3-methylbutan-2-ylamino)cyclobutane-1-carboxylic acid (PubChem CID 103230437) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylamino)cyclobutane-1-carboxylic acid
PubChem CID103230437
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(3-methylbutan-2-ylamino)cyclobutane-1-carboxylic acid
SMILESCC(C)C(C)NC1CCC1C(=O)O
InChIInChI=1S/C10H19NO2/c1-6(2)7(3)11-9-5-4-8(9)10(12)13/h6-9,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyMWDGJHURWHEBCE-UHFFFAOYSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(3-methylbutan-2-ylamino)cyclobutane-1-carboxylic acid (CID 103230437) is 2-(3-methylbutan-2-ylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(3-methylbutan-2-ylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(3-methylbutan-2-ylamino)cyclobutane-1-carboxylic acid is CC(C)C(C)NC1CCC1C(=O)O.
What is the InChIKey of 2-(3-methylbutan-2-ylamino)cyclobutane-1-carboxylic acid?
The InChIKey is MWDGJHURWHEBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6(2)7(3)11-9-5-4-8(9)10(12)13/h6-9,11H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-(3-methylbutan-2-ylamino)cyclobutane-1-carboxylic acid?
2-(3-methylbutan-2-ylamino)cyclobutane-1-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103230437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).