4-amino-1-prop-1-enylcyclohexane-1-carboxylic acid

C10H17NO2 — CID 67225164

IUPAC4-amino-1-prop-1-enylcyclohexane-1-carboxylic acid
SMILESCC=CC1(C(=O)O)CCC(N)CC1
InChIInChI=1S/C10H17NO2/c1-2-5-10(9(12)13)6-3-8(11)4-7-10/h2,5,8H,3-4,6-7,11H2,1H3,(H,12,13)
InChIKeyBGRINALLIXRLRF-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.53
Rot. Bonds2

About 4-amino-1-prop-1-enylcyclohexane-1-carboxylic acid

4-amino-1-prop-1-enylcyclohexane-1-carboxylic acid (PubChem CID 67225164) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-amino-1-prop-1-enylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-prop-1-enylcyclohexane-1-carboxylic acid
PubChem CID67225164
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-amino-1-prop-1-enylcyclohexane-1-carboxylic acid
SMILESCC=CC1(C(=O)O)CCC(N)CC1
InChIInChI=1S/C10H17NO2/c1-2-5-10(9(12)13)6-3-8(11)4-7-10/h2,5,8H,3-4,6-7,11H2,1H3,(H,12,13)
InChIKeyBGRINALLIXRLRF-UHFFFAOYSA-N
XLogP1.53
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-prop-1-enylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-amino-1-prop-1-enylcyclohexane-1-carboxylic acid (CID 67225164) is 4-amino-1-prop-1-enylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-amino-1-prop-1-enylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-amino-1-prop-1-enylcyclohexane-1-carboxylic acid is CC=CC1(C(=O)O)CCC(N)CC1.
What is the InChIKey of 4-amino-1-prop-1-enylcyclohexane-1-carboxylic acid?
The InChIKey is BGRINALLIXRLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-5-10(9(12)13)6-3-8(11)4-7-10/h2,5,8H,3-4,6-7,11H2,1H3,(H,12,13).
What are the key properties of 4-amino-1-prop-1-enylcyclohexane-1-carboxylic acid?
4-amino-1-prop-1-enylcyclohexane-1-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-prop-1-enylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 67225164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).