3-(1-acetamidoethyl)-4-amino-2-pent-1-enylcyclopentane-1-carboxylic acid

C15H26N2O3 — CID 70027527

IUPAC3-(1-acetamidoethyl)-4-amino-2-pent-1-enylcyclopentane-1-carboxylic acid
SMILESCCCC=CC1C(C(=O)O)CC(N)C1C(C)NC(C)=O
InChIInChI=1S/C15H26N2O3/c1-4-5-6-7-11-12(15(19)20)8-13(16)14(11)9(2)17-10(3)18/h6-7,9,11-14H,4-5,8,16H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyFCTQYBZZJCGMFD-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.53
Rot. Bonds6

About 3-(1-acetamidoethyl)-4-amino-2-pent-1-enylcyclopentane-1-carboxylic acid

3-(1-acetamidoethyl)-4-amino-2-pent-1-enylcyclopentane-1-carboxylic acid (PubChem CID 70027527) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-(1-acetamidoethyl)-4-amino-2-pent-1-enylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-acetamidoethyl)-4-amino-2-pent-1-enylcyclopentane-1-carboxylic acid
PubChem CID70027527
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-(1-acetamidoethyl)-4-amino-2-pent-1-enylcyclopentane-1-carboxylic acid
SMILESCCCC=CC1C(C(=O)O)CC(N)C1C(C)NC(C)=O
InChIInChI=1S/C15H26N2O3/c1-4-5-6-7-11-12(15(19)20)8-13(16)14(11)9(2)17-10(3)18/h6-7,9,11-14H,4-5,8,16H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyFCTQYBZZJCGMFD-UHFFFAOYSA-N
XLogP1.53
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 3-(1-acetamidoethyl)-4-amino-2-pent-1-enylcyclopentane-1-carboxylic acid?
The IUPAC name of 3-(1-acetamidoethyl)-4-amino-2-pent-1-enylcyclopentane-1-carboxylic acid (CID 70027527) is 3-(1-acetamidoethyl)-4-amino-2-pent-1-enylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(1-acetamidoethyl)-4-amino-2-pent-1-enylcyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(1-acetamidoethyl)-4-amino-2-pent-1-enylcyclopentane-1-carboxylic acid is CCCC=CC1C(C(=O)O)CC(N)C1C(C)NC(C)=O.
What is the InChIKey of 3-(1-acetamidoethyl)-4-amino-2-pent-1-enylcyclopentane-1-carboxylic acid?
The InChIKey is FCTQYBZZJCGMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-5-6-7-11-12(15(19)20)8-13(16)14(11)9(2)17-10(3)18/h6-7,9,11-14H,4-5,8,16H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 3-(1-acetamidoethyl)-4-amino-2-pent-1-enylcyclopentane-1-carboxylic acid?
3-(1-acetamidoethyl)-4-amino-2-pent-1-enylcyclopentane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetamidoethyl)-4-amino-2-pent-1-enylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 70027527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).