(3,3-dimethylcyclobutyl) (2S)-2-aminopropanoate

C9H17NO2 — CID 134534910

IUPAC(3,3-dimethylcyclobutyl) (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OC1CC(C)(C)C1
InChIInChI=1S/C9H17NO2/c1-6(10)8(11)12-7-4-9(2,3)5-7/h6-7H,4-5,10H2,1-3H3/t6-/m0/s1
InChIKeyMIQRFPNWABYGPZ-LURJTMIESA-N
MW171.24 g/mol
LogP1.07
Rot. Bonds2

About (3,3-dimethylcyclobutyl) (2S)-2-aminopropanoate

(3,3-dimethylcyclobutyl) (2S)-2-aminopropanoate (PubChem CID 134534910) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (3,3-dimethylcyclobutyl) (2S)-2-aminopropanoate.

Molecular Properties

Compound Name(3,3-dimethylcyclobutyl) (2S)-2-aminopropanoate
PubChem CID134534910
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(3,3-dimethylcyclobutyl) (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OC1CC(C)(C)C1
InChIInChI=1S/C9H17NO2/c1-6(10)8(11)12-7-4-9(2,3)5-7/h6-7H,4-5,10H2,1-3H3/t6-/m0/s1
InChIKeyMIQRFPNWABYGPZ-LURJTMIESA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylcyclobutyl) (2S)-2-aminopropanoate?
The IUPAC name of (3,3-dimethylcyclobutyl) (2S)-2-aminopropanoate (CID 134534910) is (3,3-dimethylcyclobutyl) (2S)-2-aminopropanoate.
What is the SMILES notation for (3,3-dimethylcyclobutyl) (2S)-2-aminopropanoate?
The canonical SMILES for (3,3-dimethylcyclobutyl) (2S)-2-aminopropanoate is C[C@H](N)C(=O)OC1CC(C)(C)C1.
What is the InChIKey of (3,3-dimethylcyclobutyl) (2S)-2-aminopropanoate?
The InChIKey is MIQRFPNWABYGPZ-LURJTMIESA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(10)8(11)12-7-4-9(2,3)5-7/h6-7H,4-5,10H2,1-3H3/t6-/m0/s1.
What are the key properties of (3,3-dimethylcyclobutyl) (2S)-2-aminopropanoate?
(3,3-dimethylcyclobutyl) (2S)-2-aminopropanoate has a molecular weight of 171.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylcyclobutyl) (2S)-2-aminopropanoate is sourced from PubChem (CID 134534910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).