1-[1-acetamido-2-oxo-2-(pentan-3-ylamino)ethyl]cyclopentane-1-carboxylic acid

C15H26N2O4 — CID 68752144

IUPAC1-[1-acetamido-2-oxo-2-(pentan-3-ylamino)ethyl]cyclopentane-1-carboxylic acid
SMILESCCC(CC)NC(=O)C(NC(C)=O)C1(C(=O)O)CCCC1
InChIInChI=1S/C15H26N2O4/c1-4-11(5-2)17-13(19)12(16-10(3)18)15(14(20)21)8-6-7-9-15/h11-12H,4-9H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyIHBAFNIREPBEOD-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.44
Rot. Bonds7

About 1-[1-acetamido-2-oxo-2-(pentan-3-ylamino)ethyl]cyclopentane-1-carboxylic acid

1-[1-acetamido-2-oxo-2-(pentan-3-ylamino)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 68752144) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[1-acetamido-2-oxo-2-(pentan-3-ylamino)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[1-acetamido-2-oxo-2-(pentan-3-ylamino)ethyl]cyclopentane-1-carboxylic acid
PubChem CID68752144
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[1-acetamido-2-oxo-2-(pentan-3-ylamino)ethyl]cyclopentane-1-carboxylic acid
SMILESCCC(CC)NC(=O)C(NC(C)=O)C1(C(=O)O)CCCC1
InChIInChI=1S/C15H26N2O4/c1-4-11(5-2)17-13(19)12(16-10(3)18)15(14(20)21)8-6-7-9-15/h11-12H,4-9H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyIHBAFNIREPBEOD-UHFFFAOYSA-N
XLogP1.44
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-acetamido-2-oxo-2-(pentan-3-ylamino)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[1-acetamido-2-oxo-2-(pentan-3-ylamino)ethyl]cyclopentane-1-carboxylic acid (CID 68752144) is 1-[1-acetamido-2-oxo-2-(pentan-3-ylamino)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[1-acetamido-2-oxo-2-(pentan-3-ylamino)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[1-acetamido-2-oxo-2-(pentan-3-ylamino)ethyl]cyclopentane-1-carboxylic acid is CCC(CC)NC(=O)C(NC(C)=O)C1(C(=O)O)CCCC1.
What is the InChIKey of 1-[1-acetamido-2-oxo-2-(pentan-3-ylamino)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is IHBAFNIREPBEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-4-11(5-2)17-13(19)12(16-10(3)18)15(14(20)21)8-6-7-9-15/h11-12H,4-9H2,1-3H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 1-[1-acetamido-2-oxo-2-(pentan-3-ylamino)ethyl]cyclopentane-1-carboxylic acid?
1-[1-acetamido-2-oxo-2-(pentan-3-ylamino)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-acetamido-2-oxo-2-(pentan-3-ylamino)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 68752144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).