1-amino-3-propylcyclobutane-1-carboxylic acid

C8H15NO2 — CID 54017977

IUPAC1-amino-3-propylcyclobutane-1-carboxylic acid
SMILESCCCC1CC(N)(C(=O)O)C1
InChIInChI=1S/C8H15NO2/c1-2-3-6-4-8(9,5-6)7(10)11/h6H,2-5,9H2,1H3,(H,10,11)
InChIKeyKWXJVPNBXICUGG-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.98
Rot. Bonds3

About 1-amino-3-propylcyclobutane-1-carboxylic acid

1-amino-3-propylcyclobutane-1-carboxylic acid (PubChem CID 54017977) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-amino-3-propylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-propylcyclobutane-1-carboxylic acid
PubChem CID54017977
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-amino-3-propylcyclobutane-1-carboxylic acid
SMILESCCCC1CC(N)(C(=O)O)C1
InChIInChI=1S/C8H15NO2/c1-2-3-6-4-8(9,5-6)7(10)11/h6H,2-5,9H2,1H3,(H,10,11)
InChIKeyKWXJVPNBXICUGG-UHFFFAOYSA-N
XLogP0.98
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-propylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-amino-3-propylcyclobutane-1-carboxylic acid (CID 54017977) is 1-amino-3-propylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-propylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-propylcyclobutane-1-carboxylic acid is CCCC1CC(N)(C(=O)O)C1.
What is the InChIKey of 1-amino-3-propylcyclobutane-1-carboxylic acid?
The InChIKey is KWXJVPNBXICUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-3-6-4-8(9,5-6)7(10)11/h6H,2-5,9H2,1H3,(H,10,11).
What are the key properties of 1-amino-3-propylcyclobutane-1-carboxylic acid?
1-amino-3-propylcyclobutane-1-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-propylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 54017977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).