(2S)-2-amino-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride

C11H20ClNO2 — CID 16663637

IUPAC(2S)-2-amino-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride
SMILESCC(C)(C)C12CC([C@H](N)C(=O)O)(C1)C2.Cl
InChIInChI=1S/C11H19NO2.ClH/c1-9(2,3)11-4-10(5-11,6-11)7(12)8(13)14;/h7H,4-6,12H2,1-3H3,(H,13,14);1H/t7-,10?,11?;/m1./s1
InChIKeyYNRSUKIZBZAXRK-JXFYQBDTSA-N
MW233.74 g/mol
LogP2.04
Rot. Bonds2

About (2S)-2-amino-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride

(2S)-2-amino-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride (PubChem CID 16663637) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride
PubChem CID16663637
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name(2S)-2-amino-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride
SMILESCC(C)(C)C12CC([C@H](N)C(=O)O)(C1)C2.Cl
InChIInChI=1S/C11H19NO2.ClH/c1-9(2,3)11-4-10(5-11,6-11)7(12)8(13)14;/h7H,4-6,12H2,1-3H3,(H,13,14);1H/t7-,10?,11?;/m1./s1
InChIKeyYNRSUKIZBZAXRK-JXFYQBDTSA-N
XLogP2.04
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride (CID 16663637) is (2S)-2-amino-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride is CC(C)(C)C12CC([C@H](N)C(=O)O)(C1)C2.Cl.
What is the InChIKey of (2S)-2-amino-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride?
The InChIKey is YNRSUKIZBZAXRK-JXFYQBDTSA-N. The full InChI is InChI=1S/C11H19NO2.ClH/c1-9(2,3)11-4-10(5-11,6-11)7(12)8(13)14;/h7H,4-6,12H2,1-3H3,(H,13,14);1H/t7-,10?,11?;/m1./s1.
What are the key properties of (2S)-2-amino-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride?
(2S)-2-amino-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride is sourced from PubChem (CID 16663637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).