4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid

C14H25NO3 — CID 114511275

IUPAC4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N(C)CC(C)C)C1
InChIInChI=1S/C14H25NO3/c1-5-10-6-11(12(7-10)14(17)18)13(16)15(4)8-9(2)3/h9-12H,5-8H2,1-4H3,(H,17,18)
InChIKeyABBFJPGGFADGIU-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.24
Rot. Bonds5

About 4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid

4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114511275) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114511275
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N(C)CC(C)C)C1
InChIInChI=1S/C14H25NO3/c1-5-10-6-11(12(7-10)14(17)18)13(16)15(4)8-9(2)3/h9-12H,5-8H2,1-4H3,(H,17,18)
InChIKeyABBFJPGGFADGIU-UHFFFAOYSA-N
XLogP2.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114511275) is 4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)N(C)CC(C)C)C1.
What is the InChIKey of 4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is ABBFJPGGFADGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-10-6-11(12(7-10)14(17)18)13(16)15(4)8-9(2)3/h9-12H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid?
4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).