1-aminocycloheptane-1-carboxylic acid

C8H15NO2 — CID 23378

IUPAC1-aminocycloheptane-1-carboxylic acid
SMILESNC1(C(=O)O)CCCCCC1
InChIInChI=1S/C8H15NO2/c9-8(7(10)11)5-3-1-2-4-6-8/h1-6,9H2,(H,10,11)
InChIKeyIINRZEIPFQHEAP-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.12
Rot. Bonds1

About 1-aminocycloheptane-1-carboxylic acid

1-aminocycloheptane-1-carboxylic acid (PubChem CID 23378) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-aminocycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-aminocycloheptane-1-carboxylic acid
PubChem CID23378
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-aminocycloheptane-1-carboxylic acid
SMILESNC1(C(=O)O)CCCCCC1
InChIInChI=1S/C8H15NO2/c9-8(7(10)11)5-3-1-2-4-6-8/h1-6,9H2,(H,10,11)
InChIKeyIINRZEIPFQHEAP-UHFFFAOYSA-N
XLogP1.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-aminocycloheptane-1-carboxylic acid?
The IUPAC name of 1-aminocycloheptane-1-carboxylic acid (CID 23378) is 1-aminocycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-aminocycloheptane-1-carboxylic acid?
The canonical SMILES for 1-aminocycloheptane-1-carboxylic acid is NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-aminocycloheptane-1-carboxylic acid?
The InChIKey is IINRZEIPFQHEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c9-8(7(10)11)5-3-1-2-4-6-8/h1-6,9H2,(H,10,11).
What are the key properties of 1-aminocycloheptane-1-carboxylic acid?
1-aminocycloheptane-1-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminocycloheptane-1-carboxylic acid is sourced from PubChem (CID 23378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).