1-amino-3-tert-butylcyclobutane-1-carboxylic acid

C9H17NO2 — CID 130742904

IUPAC1-amino-3-tert-butylcyclobutane-1-carboxylic acid
SMILESCC(C)(C)C1CC(N)(C(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-8(2,3)6-4-9(10,5-6)7(11)12/h6H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyAYHNBGJVKFAWNB-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.22
Rot. Bonds1

About 1-amino-3-tert-butylcyclobutane-1-carboxylic acid

1-amino-3-tert-butylcyclobutane-1-carboxylic acid (PubChem CID 130742904) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-amino-3-tert-butylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-tert-butylcyclobutane-1-carboxylic acid
PubChem CID130742904
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-amino-3-tert-butylcyclobutane-1-carboxylic acid
SMILESCC(C)(C)C1CC(N)(C(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-8(2,3)6-4-9(10,5-6)7(11)12/h6H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyAYHNBGJVKFAWNB-UHFFFAOYSA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-tert-butylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-amino-3-tert-butylcyclobutane-1-carboxylic acid (CID 130742904) is 1-amino-3-tert-butylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-tert-butylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-tert-butylcyclobutane-1-carboxylic acid is CC(C)(C)C1CC(N)(C(=O)O)C1.
What is the InChIKey of 1-amino-3-tert-butylcyclobutane-1-carboxylic acid?
The InChIKey is AYHNBGJVKFAWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2,3)6-4-9(10,5-6)7(11)12/h6H,4-5,10H2,1-3H3,(H,11,12).
What are the key properties of 1-amino-3-tert-butylcyclobutane-1-carboxylic acid?
1-amino-3-tert-butylcyclobutane-1-carboxylic acid has a molecular weight of 171.24 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-tert-butylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 130742904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).