1-[(3R)-4-acetamido-3-ethylpentyl]-3-ethenylcyclopentane-1-carboxylic acid

C17H29NO3 — CID 70028351

IUPAC1-[(3R)-4-acetamido-3-ethylpentyl]-3-ethenylcyclopentane-1-carboxylic acid
SMILESC=CC1CCC(CC[C@@H](CC)C(C)NC(C)=O)(C(=O)O)C1
InChIInChI=1S/C17H29NO3/c1-5-14-7-9-17(11-14,16(20)21)10-8-15(6-2)12(3)18-13(4)19/h5,12,14-15H,1,6-11H2,2-4H3,(H,18,19)(H,20,21)/t12?,14?,15-,17?/m1/s1
InChIKeyXLDLZRDRXWWODY-GGDFGVHTSA-N
MW295.42 g/mol
LogP3.37
Rot. Bonds8

About 1-[(3R)-4-acetamido-3-ethylpentyl]-3-ethenylcyclopentane-1-carboxylic acid

1-[(3R)-4-acetamido-3-ethylpentyl]-3-ethenylcyclopentane-1-carboxylic acid (PubChem CID 70028351) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-[(3R)-4-acetamido-3-ethylpentyl]-3-ethenylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3R)-4-acetamido-3-ethylpentyl]-3-ethenylcyclopentane-1-carboxylic acid
PubChem CID70028351
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-[(3R)-4-acetamido-3-ethylpentyl]-3-ethenylcyclopentane-1-carboxylic acid
SMILESC=CC1CCC(CC[C@@H](CC)C(C)NC(C)=O)(C(=O)O)C1
InChIInChI=1S/C17H29NO3/c1-5-14-7-9-17(11-14,16(20)21)10-8-15(6-2)12(3)18-13(4)19/h5,12,14-15H,1,6-11H2,2-4H3,(H,18,19)(H,20,21)/t12?,14?,15-,17?/m1/s1
InChIKeyXLDLZRDRXWWODY-GGDFGVHTSA-N
XLogP3.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.37
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 1-[(3R)-4-acetamido-3-ethylpentyl]-3-ethenylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3R)-4-acetamido-3-ethylpentyl]-3-ethenylcyclopentane-1-carboxylic acid (CID 70028351) is 1-[(3R)-4-acetamido-3-ethylpentyl]-3-ethenylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3R)-4-acetamido-3-ethylpentyl]-3-ethenylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3R)-4-acetamido-3-ethylpentyl]-3-ethenylcyclopentane-1-carboxylic acid is C=CC1CCC(CC[C@@H](CC)C(C)NC(C)=O)(C(=O)O)C1.
What is the InChIKey of 1-[(3R)-4-acetamido-3-ethylpentyl]-3-ethenylcyclopentane-1-carboxylic acid?
The InChIKey is XLDLZRDRXWWODY-GGDFGVHTSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-14-7-9-17(11-14,16(20)21)10-8-15(6-2)12(3)18-13(4)19/h5,12,14-15H,1,6-11H2,2-4H3,(H,18,19)(H,20,21)/t12?,14?,15-,17?/m1/s1.
What are the key properties of 1-[(3R)-4-acetamido-3-ethylpentyl]-3-ethenylcyclopentane-1-carboxylic acid?
1-[(3R)-4-acetamido-3-ethylpentyl]-3-ethenylcyclopentane-1-carboxylic acid has a molecular weight of 295.42 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-4-acetamido-3-ethylpentyl]-3-ethenylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 70028351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).