1-amino-3-(2-methylhepta-2,4-dien-4-yloxy)cyclopentane-1-carboxylic acid

C14H23NO3 — CID 123199106

IUPAC1-amino-3-(2-methylhepta-2,4-dien-4-yloxy)cyclopentane-1-carboxylic acid
SMILESCCC=C(C=C(C)C)OC1CCC(N)(C(=O)O)C1
InChIInChI=1S/C14H23NO3/c1-4-5-11(8-10(2)3)18-12-6-7-14(15,9-12)13(16)17/h5,8,12H,4,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyREZCHZPYLMFYQU-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.60
Rot. Bonds5

About 1-amino-3-(2-methylhepta-2,4-dien-4-yloxy)cyclopentane-1-carboxylic acid

1-amino-3-(2-methylhepta-2,4-dien-4-yloxy)cyclopentane-1-carboxylic acid (PubChem CID 123199106) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-amino-3-(2-methylhepta-2,4-dien-4-yloxy)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-(2-methylhepta-2,4-dien-4-yloxy)cyclopentane-1-carboxylic acid
PubChem CID123199106
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-amino-3-(2-methylhepta-2,4-dien-4-yloxy)cyclopentane-1-carboxylic acid
SMILESCCC=C(C=C(C)C)OC1CCC(N)(C(=O)O)C1
InChIInChI=1S/C14H23NO3/c1-4-5-11(8-10(2)3)18-12-6-7-14(15,9-12)13(16)17/h5,8,12H,4,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyREZCHZPYLMFYQU-UHFFFAOYSA-N
XLogP2.60
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methylhepta-2,4-dien-4-yloxy)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-3-(2-methylhepta-2,4-dien-4-yloxy)cyclopentane-1-carboxylic acid (CID 123199106) is 1-amino-3-(2-methylhepta-2,4-dien-4-yloxy)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-(2-methylhepta-2,4-dien-4-yloxy)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-(2-methylhepta-2,4-dien-4-yloxy)cyclopentane-1-carboxylic acid is CCC=C(C=C(C)C)OC1CCC(N)(C(=O)O)C1.
What is the InChIKey of 1-amino-3-(2-methylhepta-2,4-dien-4-yloxy)cyclopentane-1-carboxylic acid?
The InChIKey is REZCHZPYLMFYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-5-11(8-10(2)3)18-12-6-7-14(15,9-12)13(16)17/h5,8,12H,4,6-7,9,15H2,1-3H3,(H,16,17).
What are the key properties of 1-amino-3-(2-methylhepta-2,4-dien-4-yloxy)cyclopentane-1-carboxylic acid?
1-amino-3-(2-methylhepta-2,4-dien-4-yloxy)cyclopentane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methylhepta-2,4-dien-4-yloxy)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 123199106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).