(3-methylcyclobutyl) 2-amino-3-methylbutanoate

C10H19NO2 — CID 175620249

IUPAC(3-methylcyclobutyl) 2-amino-3-methylbutanoate
SMILESCC1CC(OC(=O)C(N)C(C)C)C1
InChIInChI=1S/C10H19NO2/c1-6(2)9(11)10(12)13-8-4-7(3)5-8/h6-9H,4-5,11H2,1-3H3
InChIKeyHFMBCHSZCAPQFU-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.31
Rot. Bonds3

About (3-methylcyclobutyl) 2-amino-3-methylbutanoate

(3-methylcyclobutyl) 2-amino-3-methylbutanoate (PubChem CID 175620249) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3-methylcyclobutyl) 2-amino-3-methylbutanoate.

Molecular Properties

Compound Name(3-methylcyclobutyl) 2-amino-3-methylbutanoate
PubChem CID175620249
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3-methylcyclobutyl) 2-amino-3-methylbutanoate
SMILESCC1CC(OC(=O)C(N)C(C)C)C1
InChIInChI=1S/C10H19NO2/c1-6(2)9(11)10(12)13-8-4-7(3)5-8/h6-9H,4-5,11H2,1-3H3
InChIKeyHFMBCHSZCAPQFU-UHFFFAOYSA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclobutyl) 2-amino-3-methylbutanoate?
The IUPAC name of (3-methylcyclobutyl) 2-amino-3-methylbutanoate (CID 175620249) is (3-methylcyclobutyl) 2-amino-3-methylbutanoate.
What is the SMILES notation for (3-methylcyclobutyl) 2-amino-3-methylbutanoate?
The canonical SMILES for (3-methylcyclobutyl) 2-amino-3-methylbutanoate is CC1CC(OC(=O)C(N)C(C)C)C1.
What is the InChIKey of (3-methylcyclobutyl) 2-amino-3-methylbutanoate?
The InChIKey is HFMBCHSZCAPQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6(2)9(11)10(12)13-8-4-7(3)5-8/h6-9H,4-5,11H2,1-3H3.
What are the key properties of (3-methylcyclobutyl) 2-amino-3-methylbutanoate?
(3-methylcyclobutyl) 2-amino-3-methylbutanoate has a molecular weight of 185.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclobutyl) 2-amino-3-methylbutanoate is sourced from PubChem (CID 175620249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).