4-ethyl-2-[ethyl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid

C14H23NO3 — CID 114512018

IUPAC4-ethyl-2-[ethyl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESC=CCN(CC)C(=O)C1CC(CC)CC1C(=O)O
InChIInChI=1S/C14H23NO3/c1-4-7-15(6-3)13(16)11-8-10(5-2)9-12(11)14(17)18/h4,10-12H,1,5-9H2,2-3H3,(H,17,18)
InChIKeyIGYHPANETNNNBQ-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.16
Rot. Bonds6

About 4-ethyl-2-[ethyl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid

4-ethyl-2-[ethyl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114512018) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-ethyl-2-[ethyl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[ethyl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114512018
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-ethyl-2-[ethyl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESC=CCN(CC)C(=O)C1CC(CC)CC1C(=O)O
InChIInChI=1S/C14H23NO3/c1-4-7-15(6-3)13(16)11-8-10(5-2)9-12(11)14(17)18/h4,10-12H,1,5-9H2,2-3H3,(H,17,18)
InChIKeyIGYHPANETNNNBQ-UHFFFAOYSA-N
XLogP2.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
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-ethyl-2-[ethyl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-[ethyl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114512018) is 4-ethyl-2-[ethyl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[ethyl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[ethyl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid is C=CCN(CC)C(=O)C1CC(CC)CC1C(=O)O.
What is the InChIKey of 4-ethyl-2-[ethyl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is IGYHPANETNNNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-7-15(6-3)13(16)11-8-10(5-2)9-12(11)14(17)18/h4,10-12H,1,5-9H2,2-3H3,(H,17,18).
What are the key properties of 4-ethyl-2-[ethyl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid?
4-ethyl-2-[ethyl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[ethyl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114512018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).