1-aminocyclobutane-1-carboxylic acid;1-aminocyclopropane-1-carboxylic acid

C9H16N2O4 — CID 71060763

IUPAC1-aminocyclobutane-1-carboxylic acid;1-aminocyclopropane-1-carboxylic acid
SMILESNC1(C(=O)O)CC1.NC1(C(=O)O)CCC1
InChIInChI=1S/C5H9NO2.C4H7NO2/c6-5(4(7)8)2-1-3-5;5-4(1-2-4)3(6)7/h1-3,6H2,(H,7,8);1-2,5H2,(H,6,7)
InChIKeyRXHHEBCLXYWLCP-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.49
Rot. Bonds2

About 1-aminocyclobutane-1-carboxylic acid;1-aminocyclopropane-1-carboxylic acid

1-aminocyclobutane-1-carboxylic acid;1-aminocyclopropane-1-carboxylic acid (PubChem CID 71060763) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-aminocyclobutane-1-carboxylic acid;1-aminocyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-aminocyclobutane-1-carboxylic acid;1-aminocyclopropane-1-carboxylic acid
PubChem CID71060763
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name1-aminocyclobutane-1-carboxylic acid;1-aminocyclopropane-1-carboxylic acid
SMILESNC1(C(=O)O)CC1.NC1(C(=O)O)CCC1
InChIInChI=1S/C5H9NO2.C4H7NO2/c6-5(4(7)8)2-1-3-5;5-4(1-2-4)3(6)7/h1-3,6H2,(H,7,8);1-2,5H2,(H,6,7)
InChIKeyRXHHEBCLXYWLCP-UHFFFAOYSA-N
XLogP-0.49
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-aminocyclobutane-1-carboxylic acid;1-aminocyclopropane-1-carboxylic acid?
The IUPAC name of 1-aminocyclobutane-1-carboxylic acid;1-aminocyclopropane-1-carboxylic acid (CID 71060763) is 1-aminocyclobutane-1-carboxylic acid;1-aminocyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-aminocyclobutane-1-carboxylic acid;1-aminocyclopropane-1-carboxylic acid?
The canonical SMILES for 1-aminocyclobutane-1-carboxylic acid;1-aminocyclopropane-1-carboxylic acid is NC1(C(=O)O)CC1.NC1(C(=O)O)CCC1.
What is the InChIKey of 1-aminocyclobutane-1-carboxylic acid;1-aminocyclopropane-1-carboxylic acid?
The InChIKey is RXHHEBCLXYWLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C4H7NO2/c6-5(4(7)8)2-1-3-5;5-4(1-2-4)3(6)7/h1-3,6H2,(H,7,8);1-2,5H2,(H,6,7).
What are the key properties of 1-aminocyclobutane-1-carboxylic acid;1-aminocyclopropane-1-carboxylic acid?
1-aminocyclobutane-1-carboxylic acid;1-aminocyclopropane-1-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of -0.49, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminocyclobutane-1-carboxylic acid;1-aminocyclopropane-1-carboxylic acid is sourced from PubChem (CID 71060763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).