3-(1-acetamido-2-methoxy-2-methylpentyl)-4-aminocyclopentene-1-carboxylic acid

C15H26N2O4 — CID 18669542

IUPAC3-(1-acetamido-2-methoxy-2-methylpentyl)-4-aminocyclopentene-1-carboxylic acid
SMILESCCCC(C)(OC)C(NC(C)=O)C1C=C(C(=O)O)CC1N
InChIInChI=1S/C15H26N2O4/c1-5-6-15(3,21-4)13(17-9(2)18)11-7-10(14(19)20)8-12(11)16/h7,11-13H,5-6,8,16H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyPPIJZQNTWGYGOF-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.05
Rot. Bonds7

About 3-(1-acetamido-2-methoxy-2-methylpentyl)-4-aminocyclopentene-1-carboxylic acid

3-(1-acetamido-2-methoxy-2-methylpentyl)-4-aminocyclopentene-1-carboxylic acid (PubChem CID 18669542) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-(1-acetamido-2-methoxy-2-methylpentyl)-4-aminocyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-acetamido-2-methoxy-2-methylpentyl)-4-aminocyclopentene-1-carboxylic acid
PubChem CID18669542
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-(1-acetamido-2-methoxy-2-methylpentyl)-4-aminocyclopentene-1-carboxylic acid
SMILESCCCC(C)(OC)C(NC(C)=O)C1C=C(C(=O)O)CC1N
InChIInChI=1S/C15H26N2O4/c1-5-6-15(3,21-4)13(17-9(2)18)11-7-10(14(19)20)8-12(11)16/h7,11-13H,5-6,8,16H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyPPIJZQNTWGYGOF-UHFFFAOYSA-N
XLogP1.05
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-acetamido-2-methoxy-2-methylpentyl)-4-aminocyclopentene-1-carboxylic acid?
The IUPAC name of 3-(1-acetamido-2-methoxy-2-methylpentyl)-4-aminocyclopentene-1-carboxylic acid (CID 18669542) is 3-(1-acetamido-2-methoxy-2-methylpentyl)-4-aminocyclopentene-1-carboxylic acid.
What is the SMILES notation for 3-(1-acetamido-2-methoxy-2-methylpentyl)-4-aminocyclopentene-1-carboxylic acid?
The canonical SMILES for 3-(1-acetamido-2-methoxy-2-methylpentyl)-4-aminocyclopentene-1-carboxylic acid is CCCC(C)(OC)C(NC(C)=O)C1C=C(C(=O)O)CC1N.
What is the InChIKey of 3-(1-acetamido-2-methoxy-2-methylpentyl)-4-aminocyclopentene-1-carboxylic acid?
The InChIKey is PPIJZQNTWGYGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-5-6-15(3,21-4)13(17-9(2)18)11-7-10(14(19)20)8-12(11)16/h7,11-13H,5-6,8,16H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 3-(1-acetamido-2-methoxy-2-methylpentyl)-4-aminocyclopentene-1-carboxylic acid?
3-(1-acetamido-2-methoxy-2-methylpentyl)-4-aminocyclopentene-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetamido-2-methoxy-2-methylpentyl)-4-aminocyclopentene-1-carboxylic acid is sourced from PubChem (CID 18669542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).